4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide

C208H216F2N42O24 — CID 159722038

IUPAC4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide
SMILESCN1C(=O)C(NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1ccc(Cc2cnn(C(=O)NC3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)cn1.Cc1ccc(Cc2cnn(C(=O)N[C@@H]3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)cn1
InChIInChI=1S/2C27H29N5O3.2C26H26FN5O3.2C26H27N5O3.2C25H26N6O3/c2*1-18-5-6-20(15-28-18)13-21-16-29-32(17-21)26(34)30-23-10-9-22-8-7-19(11-12-27(2,3)35)14-24(22)31(4)25(23)33;2*1-26(2,35)11-10-17-4-6-20-7-8-21(24(33)31(3)22(20)13-17)30-25(34)32-16-19(15-29-32)12-18-5-9-23(27)28-14-18;2*1-26(2,34)11-10-18-6-7-21-8-9-22(24(32)30(3)23(21)14-18)29-25(33)31-17-20(16-28-31)13-19-5-4-12-27-15-19;2*1-25(2,34)11-10-17-6-7-19-8-9-21(23(32)30(3)22(19)14-17)28-24(33)31-16-18(15-27-31)13-20-5-4-12-26-29-20/h2*5-8,14-17,23,35H,9-10,13H2,1-4H3,(H,30,34);2*4-6,9,13-16,21,35H,7-8,12H2,1-3H3,(H,30,34);2*4-7,12,14-17,22,34H,8-9,13H2,1-3H3,(H,29,33);2*4-7,12,14-16,21,34H,8-9,13H2,1-3H3,(H,28,33)/t23-;;21-;;22-;;21-;/m1.1.1.1./s1
InChIKeyNADTYDCDPNFAQV-REQYXFHVSA-N
MW3726.28 g/mol
LogP19.90
Rot. Bonds24

About 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide

4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide (PubChem CID 159722038) has the molecular formula C208H216F2N42O24 and a molecular weight of 3726.28 g/mol. Its IUPAC name is 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide
PubChem CID159722038
Molecular FormulaC208H216F2N42O24
Molecular Weight3726.28 g/mol
Exact Mass3723.69
IUPAC Name4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide
SMILESCN1C(=O)C(NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1ccc(Cc2cnn(C(=O)NC3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)cn1.Cc1ccc(Cc2cnn(C(=O)N[C@@H]3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)cn1
InChIInChI=1S/2C27H29N5O3.2C26H26FN5O3.2C26H27N5O3.2C25H26N6O3/c2*1-18-5-6-20(15-28-18)13-21-16-29-32(17-21)26(34)30-23-10-9-22-8-7-19(11-12-27(2,3)35)14-24(22)31(4)25(23)33;2*1-26(2,35)11-10-17-4-6-20-7-8-21(24(33)31(3)22(20)13-17)30-25(34)32-16-19(15-29-32)12-18-5-9-23(27)28-14-18;2*1-26(2,34)11-10-18-6-7-21-8-9-22(24(32)30(3)23(21)14-18)29-25(33)31-17-20(16-28-31)13-19-5-4-12-27-15-19;2*1-25(2,34)11-10-17-6-7-19-8-9-21(23(32)30(3)22(19)14-17)28-24(33)31-16-18(15-27-31)13-20-5-4-12-26-29-20/h2*5-8,14-17,23,35H,9-10,13H2,1-4H3,(H,30,34);2*4-6,9,13-16,21,35H,7-8,12H2,1-3H3,(H,30,34);2*4-7,12,14-17,22,34H,8-9,13H2,1-3H3,(H,29,33);2*4-7,12,14-16,21,34H,8-9,13H2,1-3H3,(H,28,33)/t23-;;21-;;22-;;21-;/m1.1.1.1./s1
InChIKeyNADTYDCDPNFAQV-REQYXFHVSA-N
XLogP19.90
TPSA828.58 Ų
H-Bond Donors16
H-Bond Acceptors50
Rotatable Bonds24
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003726.28
LogP ≤ 519.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1050

Analyze 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide?
The IUPAC name of 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide (CID 159722038) is 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide is CN1C(=O)C(NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3ccc(F)nc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccnc3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccnn3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1ccc(Cc2cnn(C(=O)NC3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)cn1.Cc1ccc(Cc2cnn(C(=O)N[C@@H]3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)cn1.
What is the InChIKey of 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide?
The InChIKey is NADTYDCDPNFAQV-REQYXFHVSA-N. The full InChI is InChI=1S/2C27H29N5O3.2C26H26FN5O3.2C26H27N5O3.2C25H26N6O3/c2*1-18-5-6-20(15-28-18)13-21-16-29-32(17-21)26(34)30-23-10-9-22-8-7-19(11-12-27(2,3)35)14-24(22)31(4)25(23)33;2*1-26(2,35)11-10-17-4-6-20-7-8-21(24(33)31(3)22(20)13-17)30-25(34)32-16-19(15-29-32)12-18-5-9-23(27)28-14-18;2*1-26(2,34)11-10-18-6-7-21-8-9-22(24(32)30(3)23(21)14-18)29-25(33)31-17-20(16-28-31)13-19-5-4-12-27-15-19;2*1-25(2,34)11-10-17-6-7-19-8-9-21(23(32)30(3)22(19)14-17)28-24(33)31-16-18(15-27-31)13-20-5-4-12-26-29-20/h2*5-8,14-17,23,35H,9-10,13H2,1-4H3,(H,30,34);2*4-6,9,13-16,21,35H,7-8,12H2,1-3H3,(H,30,34);2*4-7,12,14-17,22,34H,8-9,13H2,1-3H3,(H,29,33);2*4-7,12,14-16,21,34H,8-9,13H2,1-3H3,(H,28,33)/t23-;;21-;;22-;;21-;/m1.1.1.1./s1.
What are the key properties of 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide?
4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide has a molecular weight of 3726.28 g/mol, XLogP of 19.90, 24 rotatable bonds, 16 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-3-pyridinyl)methyl]-N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;4-[(6-fluoro-3-pyridinyl)methyl]-N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-3-pyridinyl)methyl]pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridazin-3-ylmethyl)pyrazole-1-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(pyridin-3-ylmethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 159722038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).