N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide

C151H156ClF8N23O15 — CID 157183034

IUPACN-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide
SMILESCc1cc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)ccc1F.Cc1ccc([C@@H](CC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2ccn(C)n2)cc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)cc1Cl.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)cc1F.Cc1ccc([C@@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c2ccn(C)n2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)c2ccn(C)n2)cc1F
InChIInChI=1S/C27H28FN5O2.C26H26FN5O2.C26H27FN4O2.C24H25ClFN3O3.2C24H25F2N3O3/c1-17-3-4-18(14-23(17)28)26(24-7-10-33(2)32-24)31-27(34)19-5-6-20-16-29-25(15-21(20)13-19)30-22-8-11-35-12-9-22;1-16-3-4-17(12-22(16)27)25(23-7-9-32(2)31-23)30-26(33)18-5-6-19-14-28-24(13-20(19)11-18)29-21-8-10-34-15-21;1-16-4-5-18(11-23(16)27)22(24-8-9-31(3)30-24)13-25(33)19-6-7-20-14-28-26(12-21(20)10-19)29-17(2)15-32;1-14-2-3-15(9-19(14)25)22(12-30)29-24(31)16-4-5-17-11-27-23(10-18(17)8-16)28-21-6-7-32-13-20(21)26;1-14-8-15(4-5-19(14)25)22(12-30)29-24(31)16-2-3-17-11-27-23(10-18(17)9-16)28-21-6-7-32-13-20(21)26;1-14-2-3-15(9-19(14)25)22(12-30)29-24(31)16-4-5-17-11-27-23(10-18(17)8-16)28-21-6-7-32-13-20(21)26/h3-7,10,13-16,22,26H,8-9,11-12H2,1-2H3,(H,29,30)(H,31,34);3-7,9,11-14,21,25H,8,10,15H2,1-2H3,(H,28,29)(H,30,33);4-12,14,17,22,32H,13,15H2,1-3H3,(H,28,29);3*2-5,8-11,20-22,30H,6-7,12-13H2,1H3,(H,27,28)(H,29,31)/t26-;21?,25-;17-,22+;3*20-,21+,22-/m100111/s1
InChIKeyAOUAMAURHHUXSK-BVYKSEGBSA-N
MW2720.49 g/mol
LogP24.84
Rot. Bonds38

About N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide

N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide (PubChem CID 157183034) has the molecular formula C151H156ClF8N23O15 and a molecular weight of 2720.49 g/mol. Its IUPAC name is N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide
PubChem CID157183034
Molecular FormulaC151H156ClF8N23O15
Molecular Weight2720.49 g/mol
Exact Mass2718.17
IUPAC NameN-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide
SMILESCc1cc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)ccc1F.Cc1ccc([C@@H](CC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2ccn(C)n2)cc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)cc1Cl.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)cc1F.Cc1ccc([C@@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c2ccn(C)n2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)c2ccn(C)n2)cc1F
InChIInChI=1S/C27H28FN5O2.C26H26FN5O2.C26H27FN4O2.C24H25ClFN3O3.2C24H25F2N3O3/c1-17-3-4-18(14-23(17)28)26(24-7-10-33(2)32-24)31-27(34)19-5-6-20-16-29-25(15-21(20)13-19)30-22-8-11-35-12-9-22;1-16-3-4-17(12-22(16)27)25(23-7-9-32(2)31-23)30-26(33)18-5-6-19-14-28-24(13-20(19)11-18)29-21-8-10-34-15-21;1-16-4-5-18(11-23(16)27)22(24-8-9-31(3)30-24)13-25(33)19-6-7-20-14-28-26(12-21(20)10-19)29-17(2)15-32;1-14-2-3-15(9-19(14)25)22(12-30)29-24(31)16-4-5-17-11-27-23(10-18(17)8-16)28-21-6-7-32-13-20(21)26;1-14-8-15(4-5-19(14)25)22(12-30)29-24(31)16-2-3-17-11-27-23(10-18(17)9-16)28-21-6-7-32-13-20(21)26;1-14-2-3-15(9-19(14)25)22(12-30)29-24(31)16-4-5-17-11-27-23(10-18(17)8-16)28-21-6-7-32-13-20(21)26/h3-7,10,13-16,22,26H,8-9,11-12H2,1-2H3,(H,29,30)(H,31,34);3-7,9,11-14,21,25H,8,10,15H2,1-2H3,(H,28,29)(H,30,33);4-12,14,17,22,32H,13,15H2,1-3H3,(H,28,29);3*2-5,8-11,20-22,30H,6-7,12-13H2,1H3,(H,27,28)(H,29,31)/t26-;21?,25-;17-,22+;3*20-,21+,22-/m100111/s1
InChIKeyAOUAMAURHHUXSK-BVYKSEGBSA-N
XLogP24.84
TPSA492.62 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002720.49
LogP ≤ 524.84
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide (CID 157183034) is N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide is Cc1cc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)ccc1F.Cc1ccc([C@@H](CC(=O)c2ccc3cnc(N[C@@H](C)CO)cc3c2)c2ccn(C)n2)cc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)cc1Cl.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(N[C@H]4CCOC[C@H]4F)cc3c2)cc1F.Cc1ccc([C@@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3c2)c2ccn(C)n2)cc1F.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOC4)cc3c2)c2ccn(C)n2)cc1F.
What is the InChIKey of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide?
The InChIKey is AOUAMAURHHUXSK-BVYKSEGBSA-N. The full InChI is InChI=1S/C27H28FN5O2.C26H26FN5O2.C26H27FN4O2.C24H25ClFN3O3.2C24H25F2N3O3/c1-17-3-4-18(14-23(17)28)26(24-7-10-33(2)32-24)31-27(34)19-5-6-20-16-29-25(15-21(20)13-19)30-22-8-11-35-12-9-22;1-16-3-4-17(12-22(16)27)25(23-7-9-32(2)31-23)30-26(33)18-5-6-19-14-28-24(13-20(19)11-18)29-21-8-10-34-15-21;1-16-4-5-18(11-23(16)27)22(24-8-9-31(3)30-24)13-25(33)19-6-7-20-14-28-26(12-21(20)10-19)29-17(2)15-32;1-14-2-3-15(9-19(14)25)22(12-30)29-24(31)16-4-5-17-11-27-23(10-18(17)8-16)28-21-6-7-32-13-20(21)26;1-14-8-15(4-5-19(14)25)22(12-30)29-24(31)16-2-3-17-11-27-23(10-18(17)9-16)28-21-6-7-32-13-20(21)26;1-14-2-3-15(9-19(14)25)22(12-30)29-24(31)16-4-5-17-11-27-23(10-18(17)8-16)28-21-6-7-32-13-20(21)26/h3-7,10,13-16,22,26H,8-9,11-12H2,1-2H3,(H,29,30)(H,31,34);3-7,9,11-14,21,25H,8,10,15H2,1-2H3,(H,28,29)(H,30,33);4-12,14,17,22,32H,13,15H2,1-3H3,(H,28,29);3*2-5,8-11,20-22,30H,6-7,12-13H2,1H3,(H,27,28)(H,29,31)/t26-;21?,25-;17-,22+;3*20-,21+,22-/m100111/s1.
What are the key properties of N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide?
N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide has a molecular weight of 2720.49 g/mol, XLogP of 24.84, 38 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chloro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;N-[(1S)-1-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]-3-[[(3S,4S)-3-fluorooxan-4-yl]amino]isoquinoline-6-carboxamide;(3R)-3-(3-fluoro-4-methylphenyl)-1-[3-[[(2S)-1-hydroxypropan-2-yl]amino]isoquinolin-6-yl]-3-(1-methylpyrazol-3-yl)propan-1-one;N-[(R)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxan-4-ylamino)isoquinoline-6-carboxamide;N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]-3-(oxolan-3-ylamino)isoquinoline-6-carboxamide is sourced from PubChem (CID 157183034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).