(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide

C151H157F4N29O18S3 — CID 158365264

IUPAC(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCOCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(SC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1F.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(SC)CCN(CC(=O)N5CCC(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1F.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(OCCO)c4)c3c2)CCN(CC(=O)N2CC=C(c3ncc(-c4ncccn4)s3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(OCCO)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C39H42FN7O4S.C39H40FN7O4S.C38H40FN7O5.C35H35FN8O5S/c2*1-50-20-21-51-34-11-8-29(22-32(34)40)36-31-23-30(9-10-33(31)44-45-36)43-38(49)39(52-2)14-19-46(25-39)24-35(48)47-17-12-27(13-18-47)26-4-6-28(7-5-26)37-41-15-3-16-42-37;1-50-38(37(49)42-29-8-10-32-30(22-29)35(44-43-32)28-7-9-31(39)33(21-28)51-20-19-47)13-18-45(24-38)23-34(48)46-16-11-26(12-17-46)25-3-5-27(6-4-25)36-40-14-2-15-41-36;1-48-35(34(47)40-24-4-6-27-25(18-24)31(42-41-27)23-3-5-26(36)28(17-23)49-16-15-45)9-14-43(21-35)20-30(46)44-12-7-22(8-13-44)33-39-19-29(50-33)32-37-10-2-11-38-32/h3-11,15-16,22-23,27H,12-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);3-12,15-16,22-23H,13-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);2-10,14-15,21-22,26,47H,11-13,16-20,23-24H2,1H3,(H,42,49)(H,43,44);2-7,10-11,17-19,45H,8-9,12-16,20-21H2,1H3,(H,40,47)(H,41,42)/t2*39-;38-;35-/m0000/s1
InChIKeyGTYMVHIBMRLFTQ-VDYTVHMDSA-N
MW2838.29 g/mol
LogP20.55
Rot. Bonds46

About (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide

(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 158365264) has the molecular formula C151H157F4N29O18S3 and a molecular weight of 2838.29 g/mol. Its IUPAC name is (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID158365264
Molecular FormulaC151H157F4N29O18S3
Molecular Weight2838.29 g/mol
Exact Mass2836.14
IUPAC Name(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCOCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(SC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1F.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(SC)CCN(CC(=O)N5CCC(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1F.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(OCCO)c4)c3c2)CCN(CC(=O)N2CC=C(c3ncc(-c4ncccn4)s3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(OCCO)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C39H42FN7O4S.C39H40FN7O4S.C38H40FN7O5.C35H35FN8O5S/c2*1-50-20-21-51-34-11-8-29(22-32(34)40)36-31-23-30(9-10-33(31)44-45-36)43-38(49)39(52-2)14-19-46(25-39)24-35(48)47-17-12-27(13-18-47)26-4-6-28(7-5-26)37-41-15-3-16-42-37;1-50-38(37(49)42-29-8-10-32-30(22-29)35(44-43-32)28-7-9-31(39)33(21-28)51-20-19-47)13-18-45(24-38)23-34(48)46-16-11-26(12-17-46)25-3-5-27(6-4-25)36-40-14-2-15-41-36;1-48-35(34(47)40-24-4-6-27-25(18-24)31(42-41-27)23-3-5-26(36)28(17-23)49-16-15-45)9-14-43(21-35)20-30(46)44-12-7-22(8-13-44)33-39-19-29(50-33)32-37-10-2-11-38-32/h3-11,15-16,22-23,27H,12-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);3-12,15-16,22-23H,13-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);2-10,14-15,21-22,26,47H,11-13,16-20,23-24H2,1H3,(H,42,49)(H,43,44);2-7,10-11,17-19,45H,8-9,12-16,20-21H2,1H3,(H,40,47)(H,41,42)/t2*39-;38-;35-/m0000/s1
InChIKeyGTYMVHIBMRLFTQ-VDYTVHMDSA-N
XLogP20.55
TPSA555.63 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.29
LogP ≤ 520.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 158365264) is (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide is COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(SC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1F.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(SC)CCN(CC(=O)N5CCC(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1F.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(OCCO)c4)c3c2)CCN(CC(=O)N2CC=C(c3ncc(-c4ncccn4)s3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(OCCO)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GTYMVHIBMRLFTQ-VDYTVHMDSA-N. The full InChI is InChI=1S/C39H42FN7O4S.C39H40FN7O4S.C38H40FN7O5.C35H35FN8O5S/c2*1-50-20-21-51-34-11-8-29(22-32(34)40)36-31-23-30(9-10-33(31)44-45-36)43-38(49)39(52-2)14-19-46(25-39)24-35(48)47-17-12-27(13-18-47)26-4-6-28(7-5-26)37-41-15-3-16-42-37;1-50-38(37(49)42-29-8-10-32-30(22-29)35(44-43-32)28-7-9-31(39)33(21-28)51-20-19-47)13-18-45(24-38)23-34(48)46-16-11-26(12-17-46)25-3-5-27(6-4-25)36-40-14-2-15-41-36;1-48-35(34(47)40-24-4-6-27-25(18-24)31(42-41-27)23-3-5-26(36)28(17-23)49-16-15-45)9-14-43(21-35)20-30(46)44-12-7-22(8-13-44)33-39-19-29(50-33)32-37-10-2-11-38-32/h3-11,15-16,22-23,27H,12-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);3-12,15-16,22-23H,13-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);2-10,14-15,21-22,26,47H,11-13,16-20,23-24H2,1H3,(H,42,49)(H,43,44);2-7,10-11,17-19,45H,8-9,12-16,20-21H2,1H3,(H,40,47)(H,41,42)/t2*39-;38-;35-/m0000/s1.
What are the key properties of (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide?
(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 2838.29 g/mol, XLogP of 20.55, 46 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-hydroxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 158365264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).