(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

C147H150F2N28O18S2 — CID 158175335

IUPAC(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
SMILESCOCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(CO)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6F)CC5)C4)cc23)cc1.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ncc(-c7ncccn7)s6)CC5)C4)cc23)cc1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3nc4ccccc4s3)CC2)C1
InChIInChI=1S/C39H40FN7O5.C39H41N7O5.C36H38N8O5S.C33H31FN6O3S/c1-50-20-21-52-30-8-4-27(5-9-30)36-32-23-29(7-11-34(32)44-45-36)43-38(49)39(51-2)14-19-46(25-39)24-35(48)47-17-12-26(13-18-47)31-10-6-28(22-33(31)40)37-41-15-3-16-42-37;1-50-21-22-51-32-10-7-29(8-11-32)36-33-23-31(9-12-34(33)43-44-36)42-38(49)39(26-47)15-20-45(25-39)24-35(48)46-18-13-28(14-19-46)27-3-5-30(6-4-27)37-40-16-2-17-41-37;1-47-18-19-49-27-7-4-24(5-8-27)32-28-20-26(6-9-29(28)41-42-32)40-35(46)36(48-2)12-17-43(23-36)22-31(45)44-15-10-25(11-16-44)34-39-21-30(50-34)33-37-13-3-14-38-33;1-43-33(32(42)35-24-10-11-26-25(18-24)30(38-37-26)21-6-8-23(34)9-7-21)14-17-39(20-33)19-29(41)40-15-12-22(13-16-40)31-36-27-4-2-3-5-28(27)44-31/h3-12,15-16,22-23H,13-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);2-13,16-17,23,47H,14-15,18-22,24-26H2,1H3,(H,42,49)(H,43,44);3-10,13-14,20-21H,11-12,15-19,22-23H2,1-2H3,(H,40,46)(H,41,42);2-12,18H,13-17,19-20H2,1H3,(H,35,42)(H,37,38)/t2*39-;36-;33-/m0100/s1
InChIKeyFXXWSSZDNXSNGQ-LSMUSDJZSA-N
MW2699.12 g/mol
LogP19.69
Rot. Bonds43

About (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

(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 (PubChem CID 158175335) has the molecular formula C147H150F2N28O18S2 and a molecular weight of 2699.12 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158175335
Molecular FormulaC147H150F2N28O18S2
Molecular Weight2699.12 g/mol
Exact Mass2697.11
IUPAC Name(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
SMILESCOCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(CO)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6F)CC5)C4)cc23)cc1.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ncc(-c7ncccn7)s6)CC5)C4)cc23)cc1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3nc4ccccc4s3)CC2)C1
InChIInChI=1S/C39H40FN7O5.C39H41N7O5.C36H38N8O5S.C33H31FN6O3S/c1-50-20-21-52-30-8-4-27(5-9-30)36-32-23-29(7-11-34(32)44-45-36)43-38(49)39(51-2)14-19-46(25-39)24-35(48)47-17-12-26(13-18-47)31-10-6-28(22-33(31)40)37-41-15-3-16-42-37;1-50-21-22-51-32-10-7-29(8-11-32)36-33-23-31(9-12-34(33)43-44-36)42-38(49)39(26-47)15-20-45(25-39)24-35(48)46-18-13-28(14-19-46)27-3-5-30(6-4-27)37-40-16-2-17-41-37;1-47-18-19-49-27-7-4-24(5-8-27)32-28-20-26(6-9-29(28)41-42-32)40-35(46)36(48-2)12-17-43(23-36)22-31(45)44-15-10-25(11-16-44)34-39-21-30(50-34)33-37-13-3-14-38-33;1-43-33(32(42)35-24-10-11-26-25(18-24)30(38-37-26)21-6-8-23(34)9-7-21)14-17-39(20-33)19-29(41)40-15-12-22(13-16-40)31-36-27-4-2-3-5-28(27)44-31/h3-12,15-16,22-23H,13-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);2-13,16-17,23,47H,14-15,18-22,24-26H2,1H3,(H,42,49)(H,43,44);3-10,13-14,20-21H,11-12,15-19,22-23H2,1-2H3,(H,40,46)(H,41,42);2-12,18H,13-17,19-20H2,1H3,(H,35,42)(H,37,38)/t2*39-;36-;33-/m0100/s1
InChIKeyFXXWSSZDNXSNGQ-LSMUSDJZSA-N
XLogP19.69
TPSA531.74 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002699.12
LogP ≤ 519.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(CO)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6)CC5)C4)cc23)cc1.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ccc(-c7ncccn7)cc6F)CC5)C4)cc23)cc1.COCCOc1ccc(-c2n[nH]c3ccc(NC(=O)[C@]4(OC)CCN(CC(=O)N5CC=C(c6ncc(-c7ncccn7)s6)CC5)C4)cc23)cc1.CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3nc4ccccc4s3)CC2)C1.
What is the InChIKey of (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?
The InChIKey is FXXWSSZDNXSNGQ-LSMUSDJZSA-N. The full InChI is InChI=1S/C39H40FN7O5.C39H41N7O5.C36H38N8O5S.C33H31FN6O3S/c1-50-20-21-52-30-8-4-27(5-9-30)36-32-23-29(7-11-34(32)44-45-36)43-38(49)39(51-2)14-19-46(25-39)24-35(48)47-17-12-26(13-18-47)31-10-6-28(22-33(31)40)37-41-15-3-16-42-37;1-50-21-22-51-32-10-7-29(8-11-32)36-33-23-31(9-12-34(33)43-44-36)42-38(49)39(26-47)15-20-45(25-39)24-35(48)46-18-13-28(14-19-46)27-3-5-30(6-4-27)37-40-16-2-17-41-37;1-47-18-19-49-27-7-4-24(5-8-27)32-28-20-26(6-9-29(28)41-42-32)40-35(46)36(48-2)12-17-43(23-36)22-31(45)44-15-10-25(11-16-44)34-39-21-30(50-34)33-37-13-3-14-38-33;1-43-33(32(42)35-24-10-11-26-25(18-24)30(38-37-26)21-6-8-23(34)9-7-21)14-17-39(20-33)19-29(41)40-15-12-22(13-16-40)31-36-27-4-2-3-5-28(27)44-31/h3-12,15-16,22-23H,13-14,17-21,24-25H2,1-2H3,(H,43,49)(H,44,45);2-13,16-17,23,47H,14-15,18-22,24-26H2,1H3,(H,42,49)(H,43,44);3-10,13-14,20-21H,11-12,15-19,22-23H2,1-2H3,(H,40,46)(H,41,42);2-12,18H,13-17,19-20H2,1H3,(H,35,42)(H,37,38)/t2*39-;36-;33-/m0100/s1.
What are the key properties of (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?
(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 has a molecular weight of 2699.12 g/mol, XLogP of 19.69, 43 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158175335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).