2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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

C116H121F3N20O13S3 — CID 157288894

IUPAC2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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(CC(=O)[C@]4(OC)CCC(CC(=O)N5CC=C(c6ncc(-c7ncccn7)s6)CC5)C4)cc23)cc1F.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
InChIInChI=1S/C39H42FN7O4S.C39H40FN7O4S.C38H39FN6O5S/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;1-48-16-17-50-31-7-5-27(21-29(31)39)35-28-18-24(4-6-30(28)43-44-35)19-33(46)38(49-2)11-8-25(22-38)20-34(47)45-14-9-26(10-15-45)37-42-23-32(51-37)36-40-12-3-13-41-36/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);3-7,9,12-13,18,21,23,25H,8,10-11,14-17,19-20,22H2,1-2H3,(H,43,44)/t2*39-;25?,38-/m000/s1
InChIKeyBAOHRZGSVQPJAK-RJXOLPLKSA-N
MW2156.57 g/mol
LogP18.23
Rot. Bonds37

About 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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

2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 157288894) has the molecular formula C116H121F3N20O13S3 and a molecular weight of 2156.57 g/mol. Its IUPAC name is 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 Name2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 CID157288894
Molecular FormulaC116H121F3N20O13S3
Molecular Weight2156.57 g/mol
Exact Mass2154.85
IUPAC Name2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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(CC(=O)[C@]4(OC)CCC(CC(=O)N5CC=C(c6ncc(-c7ncccn7)s6)CC5)C4)cc23)cc1F.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
InChIInChI=1S/C39H42FN7O4S.C39H40FN7O4S.C38H39FN6O5S/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;1-48-16-17-50-31-7-5-27(21-29(31)39)35-28-18-24(4-6-30(28)43-44-35)19-33(46)38(49-2)11-8-25(22-38)20-34(47)45-14-9-26(10-15-45)37-42-23-32(51-37)36-40-12-3-13-41-36/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);3-7,9,12-13,18,21,23,25H,8,10-11,14-17,19-20,22H2,1-2H3,(H,43,44)/t2*39-;25?,38-/m000/s1
InChIKeyBAOHRZGSVQPJAK-RJXOLPLKSA-N
XLogP18.23
TPSA383.56 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds37
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.57
LogP ≤ 518.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methylsulfanylpyrrolidine-3-carboxamide
CID 57685875
(3S)-N-[3-[3-fluoro-4-(2-methoxyethoxy)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
CID 57686369
2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 89828882
1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxy-1-[2-oxo-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]ethanone;2-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]ethanone;1-[(3S)-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]ethanone
CID 157330137
CID 157954791
CID 157954791
(3S)-N-[3-(4,4-difluoropiperidin-1-yl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanylpyrrolidine-3-carboxamide;(3S)-1-[2-[4-[4-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]phenyl]piperidin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 161095351
1-[(3S)-1-[2-(4-cyclopenta-1,4-dien-1-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]-3-methoxypyrrolidin-3-yl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]ethanone;(3S)-N-[3-(3,4-difluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 162173838
(3S)-3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685952
(3S)-3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-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
CID 57686457
N-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]formamide;1-[4-fluoro-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
CID 145530775
3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-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
CID 145530915
ethane;3-ethyl-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 145531013

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 157288894) is 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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(CC(=O)[C@]4(OC)CCC(CC(=O)N5CC=C(c6ncc(-c7ncccn7)s6)CC5)C4)cc23)cc1F.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.
What is the InChIKey of 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 BAOHRZGSVQPJAK-RJXOLPLKSA-N. The full InChI is InChI=1S/C39H42FN7O4S.C39H40FN7O4S.C38H39FN6O5S/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;1-48-16-17-50-31-7-5-27(21-29(31)39)35-28-18-24(4-6-30(28)43-44-35)19-33(46)38(49-2)11-8-25(22-38)20-34(47)45-14-9-26(10-15-45)37-42-23-32(51-37)36-40-12-3-13-41-36/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);3-7,9,12-13,18,21,23,25H,8,10-11,14-17,19-20,22H2,1-2H3,(H,43,44)/t2*39-;25?,38-/m000/s1.
What are the key properties of 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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?
2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 2156.57 g/mol, XLogP of 18.23, 37 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[2-[3-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]acetyl]-3-methoxycyclopentyl]-1-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(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 157288894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).