4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide

C162H168N20O32 — CID 161149266

IUPAC4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.COC1(C#Cc2ccc3c(c2)N(C)C(=O)C(NC(=O)c2cc(Oc4ccccc4)ccn2)CO3)CN(C)C1.COC1(C#Cc2ccc3c(c2)N(C)C(=O)[C@H](NC(=O)c2cc(Oc4ccccc4)ccn2)CO3)CN(C)C1
InChIInChI=1S/2C29H28N4O5.2C26H27N3O6.2C26H29N3O5/c2*1-32-18-29(19-32,36-3)13-11-20-9-10-26-25(15-20)33(2)28(35)24(17-37-26)31-27(34)23-16-22(12-14-30-23)38-21-7-5-4-6-8-21;2*1-29-22-12-17(8-10-26(32)15-33-16-26)6-7-23(22)34-14-21(25(29)31)28-24(30)20-13-19(9-11-27-20)35-18-4-2-3-5-18;2*1-26(2,32)12-10-17-8-9-23-22(14-17)29(3)25(31)21(16-33-23)28-24(30)20-15-19(11-13-27-20)34-18-6-4-5-7-18/h2*4-10,12,14-16,24H,17-19H2,1-3H3,(H,31,34);2*6-7,9,11-13,18,21,32H,2-5,14-16H2,1H3,(H,28,30);2*8-9,11,13-15,18,21,32H,4-7,16H2,1-3H3,(H,28,30)/t24-;;21-;;21-;/m1.1.1./s1
InChIKeyUOLLXWVDYXLSBO-IAPSHZTDSA-N
MW2907.23 g/mol
LogP14.12
Rot. Bonds26

About 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide

4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide (PubChem CID 161149266) has the molecular formula C162H168N20O32 and a molecular weight of 2907.23 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
PubChem CID161149266
Molecular FormulaC162H168N20O32
Molecular Weight2907.23 g/mol
Exact Mass2905.21
IUPAC Name4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.COC1(C#Cc2ccc3c(c2)N(C)C(=O)C(NC(=O)c2cc(Oc4ccccc4)ccn2)CO3)CN(C)C1.COC1(C#Cc2ccc3c(c2)N(C)C(=O)[C@H](NC(=O)c2cc(Oc4ccccc4)ccn2)CO3)CN(C)C1
InChIInChI=1S/2C29H28N4O5.2C26H27N3O6.2C26H29N3O5/c2*1-32-18-29(19-32,36-3)13-11-20-9-10-26-25(15-20)33(2)28(35)24(17-37-26)31-27(34)23-16-22(12-14-30-23)38-21-7-5-4-6-8-21;2*1-29-22-12-17(8-10-26(32)15-33-16-26)6-7-23(22)34-14-21(25(29)31)28-24(30)20-13-19(9-11-27-20)35-18-4-2-3-5-18;2*1-26(2,32)12-10-17-8-9-23-22(14-17)29(3)25(31)21(16-33-23)28-24(30)20-15-19(11-13-27-20)34-18-6-4-5-7-18/h2*4-10,12,14-16,24H,17-19H2,1-3H3,(H,31,34);2*6-7,9,11-13,18,21,32H,2-5,14-16H2,1H3,(H,28,30);2*8-9,11,13-15,18,21,32H,4-7,16H2,1-3H3,(H,28,30)/t24-;;21-;;21-;/m1.1.1./s1
InChIKeyUOLLXWVDYXLSBO-IAPSHZTDSA-N
XLogP14.12
TPSA608.88 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002907.23
LogP ≤ 514.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?
The IUPAC name of 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide (CID 161149266) is 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?
The canonical SMILES for 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide is CN1C(=O)C(NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)C(NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2cc(OC3CCCC3)ccn2)COc2ccc(C#CC3(O)COC3)cc21.COC1(C#Cc2ccc3c(c2)N(C)C(=O)C(NC(=O)c2cc(Oc4ccccc4)ccn2)CO3)CN(C)C1.COC1(C#Cc2ccc3c(c2)N(C)C(=O)[C@H](NC(=O)c2cc(Oc4ccccc4)ccn2)CO3)CN(C)C1.
What is the InChIKey of 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?
The InChIKey is UOLLXWVDYXLSBO-IAPSHZTDSA-N. The full InChI is InChI=1S/2C29H28N4O5.2C26H27N3O6.2C26H29N3O5/c2*1-32-18-29(19-32,36-3)13-11-20-9-10-26-25(15-20)33(2)28(35)24(17-37-26)31-27(34)23-16-22(12-14-30-23)38-21-7-5-4-6-8-21;2*1-29-22-12-17(8-10-26(32)15-33-16-26)6-7-23(22)34-14-21(25(29)31)28-24(30)20-13-19(9-11-27-20)35-18-4-2-3-5-18;2*1-26(2,32)12-10-17-8-9-23-22(14-17)29(3)25(31)21(16-33-23)28-24(30)20-15-19(11-13-27-20)34-18-6-4-5-7-18/h2*4-10,12,14-16,24H,17-19H2,1-3H3,(H,31,34);2*6-7,9,11-13,18,21,32H,2-5,14-16H2,1H3,(H,28,30);2*8-9,11,13-15,18,21,32H,4-7,16H2,1-3H3,(H,28,30)/t24-;;21-;;21-;/m1.1.1./s1.
What are the key properties of 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide?
4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide has a molecular weight of 2907.23 g/mol, XLogP of 14.12, 26 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(3R)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[(3R)-7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;4-cyclopentyloxy-N-[7-[2-(3-hydroxyoxetan-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide;N-[(3R)-7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide;N-[7-[2-(3-methoxy-1-methylazetidin-3-yl)ethynyl]-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 161149266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).