(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide

C111H109F6N23O9 — CID 160960458

IUPAC(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(N(C)C)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1
InChIInChI=1S/C38H39FN8O3.C37H38FN7O3.C36H32F4N8O3/c1-45(2)29-9-5-26(6-10-29)35-31-22-28(8-12-33(31)43-44-35)42-37(49)38(50-3)15-20-46(24-38)23-34(48)47-18-13-25(14-19-47)30-11-7-27(21-32(30)39)36-40-16-4-17-41-36;1-36(27-8-4-26(5-9-27)34-39-17-3-18-40-34)14-20-45(21-15-36)32(46)23-44-19-16-37(24-44,48-2)35(47)41-29-12-13-31-30(22-29)33(43-42-31)25-6-10-28(38)11-7-25;1-51-35(34(50)44-25-4-6-29-27(19-25)32(46-45-29)23-7-13-41-30(18-23)36(38,39)40)10-16-47(21-35)20-31(49)48-14-8-22(9-15-48)26-5-3-24(17-28(26)37)33-42-11-2-12-43-33/h4-13,16-17,21-22H,14-15,18-20,23-24H2,1-3H3,(H,42,49)(H,43,44);3-13,17-18,22H,14-16,19-21,23-24H2,1-2H3,(H,41,47)(H,42,43);2-8,11-13,17-19H,9-10,14-16,20-21H2,1H3,(H,44,50)(H,45,46)/t38-;37-;35-/m000/s1
InChIKeySWYFASXYZOSEPN-KSUHKZOHSA-N
MW2023.23 g/mol
LogP16.26
Rot. Bonds25

About (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide

(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 160960458) has the molecular formula C111H109F6N23O9 and a molecular weight of 2023.23 g/mol. Its IUPAC name is (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID160960458
Molecular FormulaC111H109F6N23O9
Molecular Weight2023.23 g/mol
Exact Mass2021.87
IUPAC Name(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(N(C)C)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1
InChIInChI=1S/C38H39FN8O3.C37H38FN7O3.C36H32F4N8O3/c1-45(2)29-9-5-26(6-10-29)35-31-22-28(8-12-33(31)43-44-35)42-37(49)38(50-3)15-20-46(24-38)23-34(48)47-18-13-25(14-19-47)30-11-7-27(21-32(30)39)36-40-16-4-17-41-36;1-36(27-8-4-26(5-9-27)34-39-17-3-18-40-34)14-20-45(21-15-36)32(46)23-44-19-16-37(24-44,48-2)35(47)41-29-12-13-31-30(22-29)33(43-42-31)25-6-10-28(38)11-7-25;1-51-35(34(50)44-25-4-6-29-27(19-25)32(46-45-29)23-7-13-41-30(18-23)36(38,39)40)10-16-47(21-35)20-31(49)48-14-8-22(9-15-48)26-5-3-24(17-28(26)37)33-42-11-2-12-43-33/h4-13,16-17,21-22H,14-15,18-20,23-24H2,1-3H3,(H,42,49)(H,43,44);3-13,17-18,22H,14-16,19-21,23-24H2,1-2H3,(H,41,47)(H,42,43);2-8,11-13,17-19H,9-10,14-16,20-21H2,1H3,(H,44,50)(H,45,46)/t38-;37-;35-/m000/s1
InChIKeySWYFASXYZOSEPN-KSUHKZOHSA-N
XLogP16.26
TPSA365.15 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002023.23
LogP ≤ 516.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-4-methoxypiperidine-4-carboxamide
CID 143891370
(3S)-N-[3-(4-fluorophenyl)-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
CID 58946448
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-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-fluorophenyl)-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
CID 158525648
(3S)-N-[3-(3,4-difluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-[4-fluoro-3-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 162158589
(3S)-1-[2-[4-(1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxypyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide;(3R)-3-(hydroxymethyl)-N-[3-[4-(2-methoxyethoxy)phenyl]-1H-indazol-5-yl]-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-(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 158175335
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 25155716
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methylsulfonylpyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfonyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfonyl-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 160821298
(3S)-N-[3-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-fluoro-4-(1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluoro-3-methoxyphenyl)-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-(2-methyl-4-pyridinyl)-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 159761801
(3S)-N-[3-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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-(2-methyl-1,3-thiazol-5-yl)-1H-indazol-5-yl]-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-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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 159603055
(3S)-N-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-1-[2-[4-[4-(5-fluoropyrimidin-2-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide
CID 24866811
(3S)-3-methoxy-1-[2-oxo-2-[4-[4-(1-propyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 58371912
(3S)-1-[2-[4-(2,5-difluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-ethyl-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanylpyrrolidine-3-carboxamide;(3S)-N-[3-(2-ethyl-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(5-pyridin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(2-ethyl-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 160823975

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide (CID 160960458) is (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide is CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CCC(C)(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(N(C)C)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.
What is the InChIKey of (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is SWYFASXYZOSEPN-KSUHKZOHSA-N. The full InChI is InChI=1S/C38H39FN8O3.C37H38FN7O3.C36H32F4N8O3/c1-45(2)29-9-5-26(6-10-29)35-31-22-28(8-12-33(31)43-44-35)42-37(49)38(50-3)15-20-46(24-38)23-34(48)47-18-13-25(14-19-47)30-11-7-27(21-32(30)39)36-40-16-4-17-41-36;1-36(27-8-4-26(5-9-27)34-39-17-3-18-40-34)14-20-45(21-15-36)32(46)23-44-19-16-37(24-44,48-2)35(47)41-29-12-13-31-30(22-29)33(43-42-31)25-6-10-28(38)11-7-25;1-51-35(34(50)44-25-4-6-29-27(19-25)32(46-45-29)23-7-13-41-30(18-23)36(38,39)40)10-16-47(21-35)20-31(49)48-14-8-22(9-15-48)26-5-3-24(17-28(26)37)33-42-11-2-12-43-33/h4-13,16-17,21-22H,14-15,18-20,23-24H2,1-3H3,(H,42,49)(H,43,44);3-13,17-18,22H,14-16,19-21,23-24H2,1-2H3,(H,41,47)(H,42,43);2-8,11-13,17-19H,9-10,14-16,20-21H2,1H3,(H,44,50)(H,45,46)/t38-;37-;35-/m000/s1.
What are the key properties of (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
(3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 2023.23 g/mol, XLogP of 16.26, 25 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[4-(dimethylamino)phenyl]-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxypyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-[4-methyl-4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide;(3S)-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 160960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).