N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide

C152H159F6N29O13 — CID 161211566

IUPACN-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
SMILESCc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(CC4CCOCC4)cc3n2)c2cncn2C)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c2cnn(C)c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2cnn(C)c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@@H]4F)cc3n2)c2ccnn2C)cc1F.Cc1cccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2cnn(C)c2)c1
InChIInChI=1S/2C27H28FN5O2.C26H26F2N6O2.C25H26FN5O2.C25H27N5O2.C22H24FN3O3/c1-17-3-4-19(12-22(17)28)26(25-15-29-16-33(25)2)32-27(34)23-6-5-20-14-30-21(13-24(20)31-23)11-18-7-9-35-10-8-18;1-17-3-4-18(12-24(17)28)26(22-15-30-33(2)16-22)32-27(34)19-5-6-20-14-29-25(13-21(20)11-19)31-23-7-9-35-10-8-23;1-15-3-4-16(11-18(15)27)25(23-7-9-30-34(23)2)33-26(35)21-6-5-17-13-29-24(12-22(17)31-21)32-20-8-10-36-14-19(20)28;1-15-4-5-17(9-22(15)26)24(21-12-28-31(3)13-21)30-25(33)18-6-7-19-11-27-23(10-20(19)8-18)29-16(2)14-32;1-16-5-4-6-18(9-16)24(22-13-27-30(3)14-22)29-25(32)19-7-8-20-12-26-23(11-21(20)10-19)28-17(2)15-31;1-13-3-4-15(8-19(13)23)20(12-28)26-22(29)16-5-6-17-10-24-21(9-18(17)7-16)25-14(2)11-27/h3-6,12-16,18,26H,7-11H2,1-2H3,(H,32,34);3-6,11-16,23,26H,7-10H2,1-2H3,(H,29,31)(H,32,34);3-7,9,11-13,19-20,25H,8,10,14H2,1-2H3,(H,29,32)(H,33,35);4-13,16,24,32H,14H2,1-3H3,(H,27,29)(H,30,33);4-14,17,24,31H,15H2,1-3H3,(H,26,28)(H,29,32);3-10,14,20,27-28H,11-12H2,1-2H3,(H,24,25)(H,26,29)/t2*26-;19-,20-,25-;16-,24-;17-,24-;14-,20+/m000000/s1
InChIKeyUWHNAKJUJQXGPZ-OYBOETRHSA-N
MW2714.12 g/mol
LogP22.95
Rot. Bonds39

About N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide

N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide (PubChem CID 161211566) has the molecular formula C152H159F6N29O13 and a molecular weight of 2714.12 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
PubChem CID161211566
Molecular FormulaC152H159F6N29O13
Molecular Weight2714.12 g/mol
Exact Mass2712.26
IUPAC NameN-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
SMILESCc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(CC4CCOCC4)cc3n2)c2cncn2C)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c2cnn(C)c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2cnn(C)c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@@H]4F)cc3n2)c2ccnn2C)cc1F.Cc1cccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2cnn(C)c2)c1
InChIInChI=1S/2C27H28FN5O2.C26H26F2N6O2.C25H26FN5O2.C25H27N5O2.C22H24FN3O3/c1-17-3-4-19(12-22(17)28)26(25-15-29-16-33(25)2)32-27(34)23-6-5-20-14-30-21(13-24(20)31-23)11-18-7-9-35-10-8-18;1-17-3-4-18(12-24(17)28)26(22-15-30-33(2)16-22)32-27(34)19-5-6-20-14-29-25(13-21(20)11-19)31-23-7-9-35-10-8-23;1-15-3-4-16(11-18(15)27)25(23-7-9-30-34(23)2)33-26(35)21-6-5-17-13-29-24(12-22(17)31-21)32-20-8-10-36-14-19(20)28;1-15-4-5-17(9-22(15)26)24(21-12-28-31(3)13-21)30-25(33)18-6-7-19-11-27-23(10-20(19)8-18)29-16(2)14-32;1-16-5-4-6-18(9-16)24(22-13-27-30(3)14-22)29-25(32)19-7-8-20-12-26-23(11-21(20)10-19)28-17(2)15-31;1-13-3-4-15(8-19(13)23)20(12-28)26-22(29)16-5-6-17-10-24-21(9-18(17)7-16)25-14(2)11-27/h3-6,12-16,18,26H,7-11H2,1-2H3,(H,32,34);3-6,11-16,23,26H,7-10H2,1-2H3,(H,29,31)(H,32,34);3-7,9,11-13,19-20,25H,8,10,14H2,1-2H3,(H,29,32)(H,33,35);4-13,16,24,32H,14H2,1-3H3,(H,27,29)(H,30,33);4-14,17,24,31H,15H2,1-3H3,(H,26,28)(H,29,32);3-10,14,20,27-28H,11-12H2,1-2H3,(H,24,25)(H,26,29)/t2*26-;19-,20-,25-;16-,24-;17-,24-;14-,20+/m000000/s1
InChIKeyUWHNAKJUJQXGPZ-OYBOETRHSA-N
XLogP22.95
TPSA535.58 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds39
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002714.12
LogP ≤ 522.95
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Analyze N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide (CID 161211566) is N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide is Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(CC4CCOCC4)cc3n2)c2cncn2C)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c2cnn(C)c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2cnn(C)c2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@@H]4F)cc3n2)c2ccnn2C)cc1F.Cc1cccc([C@H](NC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2cnn(C)c2)c1.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide?
The InChIKey is UWHNAKJUJQXGPZ-OYBOETRHSA-N. The full InChI is InChI=1S/2C27H28FN5O2.C26H26F2N6O2.C25H26FN5O2.C25H27N5O2.C22H24FN3O3/c1-17-3-4-19(12-22(17)28)26(25-15-29-16-33(25)2)32-27(34)23-6-5-20-14-30-21(13-24(20)31-23)11-18-7-9-35-10-8-18;1-17-3-4-18(12-24(17)28)26(22-15-30-33(2)16-22)32-27(34)19-5-6-20-14-29-25(13-21(20)11-19)31-23-7-9-35-10-8-23;1-15-3-4-16(11-18(15)27)25(23-7-9-30-34(23)2)33-26(35)21-6-5-17-13-29-24(12-22(17)31-21)32-20-8-10-36-14-19(20)28;1-15-4-5-17(9-22(15)26)24(21-12-28-31(3)13-21)30-25(33)18-6-7-19-11-27-23(10-20(19)8-18)29-16(2)14-32;1-16-5-4-6-18(9-16)24(22-13-27-30(3)14-22)29-25(32)19-7-8-20-12-26-23(11-21(20)10-19)28-17(2)15-31;1-13-3-4-15(8-19(13)23)20(12-28)26-22(29)16-5-6-17-10-24-21(9-18(17)7-16)25-14(2)11-27/h3-6,12-16,18,26H,7-11H2,1-2H3,(H,32,34);3-6,11-16,23,26H,7-10H2,1-2H3,(H,29,31)(H,32,34);3-7,9,11-13,19-20,25H,8,10,14H2,1-2H3,(H,29,32)(H,33,35);4-13,16,24,32H,14H2,1-3H3,(H,27,29)(H,30,33);4-14,17,24,31H,15H2,1-3H3,(H,26,28)(H,29,32);3-10,14,20,27-28H,11-12H2,1-2H3,(H,24,25)(H,26,29)/t2*26-;19-,20-,25-;16-,24-;17-,24-;14-,20+/m000000/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide?
N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide has a molecular weight of 2714.12 g/mol, XLogP of 22.95, 39 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]-7-(oxan-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;3-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[(S)-(3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 161211566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).