(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide

C109H109F4N23O10 — CID 159273283

IUPAC(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(CO)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C37H36FN7O4.C36H35F3N8O3.C36H38N8O3/c1-49-37(36(48)41-29-8-10-32-30(20-29)34(43-42-32)27-7-9-31(38)28(19-27)22-46)13-18-44(23-37)21-33(47)45-16-11-25(12-17-45)24-3-5-26(6-4-24)35-39-14-2-15-40-35;1-50-35(34(49)43-27-7-8-29-28(20-27)32(45-44-29)26-9-15-40-30(19-26)36(37,38)39)12-18-46(22-35)21-31(48)47-16-10-24(11-17-47)23-3-5-25(6-4-23)33-41-13-2-14-42-33;1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34/h2-11,14-15,19-20,46H,12-13,16-18,21-23H2,1H3,(H,41,48)(H,42,43);2-9,13-15,19-20,24H,10-12,16-18,21-22H2,1H3,(H,43,49)(H,44,45);3-10,14-16,20-21,26H,11-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t37-;35-;36-/m000/s1
InChIKeyKXZDSBZBWHSIKS-OTVWJQRRSA-N
MW1977.21 g/mol
LogP15.03
Rot. Bonds25

About (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide

(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 159273283) has the molecular formula C109H109F4N23O10 and a molecular weight of 1977.21 g/mol. Its IUPAC name is (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID159273283
Molecular FormulaC109H109F4N23O10
Molecular Weight1977.21 g/mol
Exact Mass1975.87
IUPAC Name(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
SMILESCO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(CO)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C37H36FN7O4.C36H35F3N8O3.C36H38N8O3/c1-49-37(36(48)41-29-8-10-32-30(20-29)34(43-42-32)27-7-9-31(38)28(19-27)22-46)13-18-44(23-37)21-33(47)45-16-11-25(12-17-45)24-3-5-26(6-4-24)35-39-14-2-15-40-35;1-50-35(34(49)43-27-7-8-29-28(20-27)32(45-44-29)26-9-15-40-30(19-26)36(37,38)39)12-18-46(22-35)21-31(48)47-16-10-24(11-17-47)23-3-5-25(6-4-23)33-41-13-2-14-42-33;1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34/h2-11,14-15,19-20,46H,12-13,16-18,21-23H2,1H3,(H,41,48)(H,42,43);2-9,13-15,19-20,24H,10-12,16-18,21-22H2,1H3,(H,43,49)(H,44,45);3-10,14-16,20-21,26H,11-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t37-;35-;36-/m000/s1
InChIKeyKXZDSBZBWHSIKS-OTVWJQRRSA-N
XLogP15.03
TPSA395.03 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001977.21
LogP ≤ 515.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685671
(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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
CID 57685778
(3S)-N-[3-[4-fluoro-3-(methoxymethyl)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
CID 57686002
(3S)-N-[3-[4-fluoro-3-(methoxymethyl)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
CID 57686003
(3S)-N-[3-[4-fluoro-3-(methoxymethyl)phenyl]-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57686515
(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
CID 57686596
N-[3-[4-fluoro-3-(hydroxymethyl)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 70214000
(3R)-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-methylpyrrolidine-3-carboxamide
CID 89743169
N-[3-[4-fluoro-3-(hydroxymethyl)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
CID 145530909
(3S)-N-[3-[3-(difluoromethyl)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-[2-(difluoromethyl)-4-pyridinyl]-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)-N-[3-[4-fluoro-3-(hydroxymethyl)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-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 157057239
(3S)-3-amino-4-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methoxy]-4-oxobutanoic acid;4-O-tert-butyl 1-O-[[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl] (2S)-2-methylbutanedioate;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;sulfane;dihydrochloride
CID 157216810
(3R)-N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3R)-3-(methoxymethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 157599432

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide (CID 159273283) is (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide is CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)c(CO)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is KXZDSBZBWHSIKS-OTVWJQRRSA-N. The full InChI is InChI=1S/C37H36FN7O4.C36H35F3N8O3.C36H38N8O3/c1-49-37(36(48)41-29-8-10-32-30(20-29)34(43-42-32)27-7-9-31(38)28(19-27)22-46)13-18-44(23-37)21-33(47)45-16-11-25(12-17-45)24-3-5-26(6-4-24)35-39-14-2-15-40-35;1-50-35(34(49)43-27-7-8-29-28(20-27)32(45-44-29)26-9-15-40-30(19-26)36(37,38)39)12-18-46(22-35)21-31(48)47-16-10-24(11-17-47)23-3-5-25(6-4-23)33-41-13-2-14-42-33;1-24-20-28(10-16-37-24)33-30-21-29(8-9-31(30)41-42-33)40-35(46)36(47-2)13-19-43(23-36)22-32(45)44-17-11-26(12-18-44)25-4-6-27(7-5-25)34-38-14-3-15-39-34/h2-11,14-15,19-20,46H,12-13,16-18,21-23H2,1H3,(H,41,48)(H,42,43);2-9,13-15,19-20,24H,10-12,16-18,21-22H2,1H3,(H,43,49)(H,44,45);3-10,14-16,20-21,26H,11-13,17-19,22-23H2,1-2H3,(H,40,46)(H,41,42)/t37-;35-;36-/m000/s1.
What are the key properties of (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide?
(3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 1977.21 g/mol, XLogP of 15.03, 25 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[4-fluoro-3-(hydroxymethyl)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-4-pyridinyl)-1H-indazol-5-yl]-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide;(3S)-3-methoxy-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-indazol-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 159273283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).