(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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

C113H112FN25O10S3 — CID 159853002

IUPAC(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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
SMILESCS(=O)(=O)[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CS(=O)(=O)[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C38H37FN8O4S.C38H38N8O2S.C37H37N9O4S/c1-52(50,51)38(37(49)43-28-6-8-32-30(21-28)35(45-44-32)26-9-15-40-33(20-26)25-3-4-25)12-18-46(23-38)22-34(48)47-16-10-24(11-17-47)29-7-5-27(19-31(29)39)36-41-13-2-14-42-36;1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36;1-51(49,50)37(36(48)42-28-6-8-31-29(20-28)34(44-43-31)26-9-15-38-32(19-26)24-3-4-24)12-18-45(23-37)22-33(47)46-16-10-25(11-17-46)30-7-5-27(21-41-30)35-39-13-2-14-40-35/h2,5-10,13-15,19-21,25H,3-4,11-12,16-18,22-23H2,1H3,(H,43,49)(H,44,45);2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44);2,5-10,13-15,19-21,24H,3-4,11-12,16-18,22-23H2,1H3,(H,42,48)(H,43,44)/t2*38-;37-/m000/s1
InChIKeyNQEGLMRVAVSIMR-XNGTZZNQSA-N
MW2095.50 g/mol
LogP14.96
Rot. Bonds27

About (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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

(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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 (PubChem CID 159853002) has the molecular formula C113H112FN25O10S3 and a molecular weight of 2095.50 g/mol. Its IUPAC name is (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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.

Molecular Properties

Compound Name(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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
PubChem CID159853002
Molecular FormulaC113H112FN25O10S3
Molecular Weight2095.50 g/mol
Exact Mass2093.82
IUPAC Name(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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
SMILESCS(=O)(=O)[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CS(=O)(=O)[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C38H37FN8O4S.C38H38N8O2S.C37H37N9O4S/c1-52(50,51)38(37(49)43-28-6-8-32-30(21-28)35(45-44-32)26-9-15-40-33(20-26)25-3-4-25)12-18-46(23-38)22-34(48)47-16-10-24(11-17-47)29-7-5-27(19-31(29)39)36-41-13-2-14-42-36;1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36;1-51(49,50)37(36(48)42-28-6-8-31-29(20-28)34(44-43-31)26-9-15-38-32(19-26)24-3-4-24)12-18-45(23-37)22-33(47)46-16-10-25(11-17-46)30-7-5-27(21-41-30)35-39-13-2-14-40-35/h2,5-10,13-15,19-21,25H,3-4,11-12,16-18,22-23H2,1H3,(H,43,49)(H,44,45);2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44);2,5-10,13-15,19-21,24H,3-4,11-12,16-18,22-23H2,1H3,(H,42,48)(H,43,44)/t2*38-;37-/m000/s1
InChIKeyNQEGLMRVAVSIMR-XNGTZZNQSA-N
XLogP14.96
TPSA441.17 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002095.50
LogP ≤ 514.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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 with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57686268
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfonyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685726
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57686351
Erk2 IN-1
CID 57686448
(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-methylsulfanylpyrrolidine-3-carboxamide
CID 57686585
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[4-(2-fluoro-4-pyrimidin-2-ylphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylsulfanylpyrrolidine-3-carboxamide
CID 145977776
(3R)-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 145970914
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
CID 133107896
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[1-(5-pyrimidin-2-yl-2-pyridinyl)piperidin-4-yl]ethyl]pyrrolidine-3-carboxamide
CID 51347747
(3S)-1-[2-[4-(2,5-difluoro-4-pyrimidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(2-ethylpyrimidin-4-yl)-1H-indazol-5-yl]-3-methylsulfanylpyrrolidine-3-carboxamide
CID 57685753
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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
CID 57685825
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685828

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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?
The IUPAC name of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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 159853002) is (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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.
What is the SMILES notation for (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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?
The canonical SMILES for (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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 is CS(=O)(=O)[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1.CS(=O)(=O)[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1.CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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?
The InChIKey is NQEGLMRVAVSIMR-XNGTZZNQSA-N. The full InChI is InChI=1S/C38H37FN8O4S.C38H38N8O2S.C37H37N9O4S/c1-52(50,51)38(37(49)43-28-6-8-32-30(21-28)35(45-44-32)26-9-15-40-33(20-26)25-3-4-25)12-18-46(23-38)22-34(48)47-16-10-24(11-17-47)29-7-5-27(19-31(29)39)36-41-13-2-14-42-36;1-49-38(37(48)42-30-9-10-32-31(22-30)35(44-43-32)29-11-17-39-33(21-29)27-5-6-27)14-20-45(24-38)23-34(47)46-18-12-26(13-19-46)25-3-7-28(8-4-25)36-40-15-2-16-41-36;1-51(49,50)37(36(48)42-28-6-8-31-29(20-28)34(44-43-31)26-9-15-38-32(19-26)24-3-4-24)12-18-45(23-37)22-33(47)46-16-10-25(11-17-46)30-7-5-27(21-41-30)35-39-13-2-14-40-35/h2,5-10,13-15,19-21,25H,3-4,11-12,16-18,22-23H2,1H3,(H,43,49)(H,44,45);2-4,7-12,15-17,21-22,27H,5-6,13-14,18-20,23-24H2,1H3,(H,42,48)(H,43,44);2,5-10,13-15,19-21,24H,3-4,11-12,16-18,22-23H2,1H3,(H,42,48)(H,43,44)/t2*38-;37-/m000/s1.
What are the key properties of (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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?
(3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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 has a molecular weight of 2095.50 g/mol, XLogP of 14.96, 27 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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-(2-cyclopropyl-4-pyridinyl)-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 is sourced from PubChem (CID 159853002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).