(3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid

C147H133F2N21O14S — CID 157336092

IUPAC(3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid
SMILESC=C1C=Nc2ccc(CCc3ccoc3C(=O)N3CC4=C(C[C@@H]3C(=O)NC)c3ccccc3C4)cc2C1.CC(C)NC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2nccnc2c1.CN(C)C(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1ncsc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1nc[nH]c1CCc1ccc2nccnc2c1.O=C(O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1ccoc1CCc1ccc2nccnc2c1
InChIInChI=1S/C31H29FN4O3.C31H29N3O3.C29H26FN5O2S.C28H26N6O2.C28H23N3O4/c1-18(2)35-30(37)27-16-23-22(15-21-4-3-5-24(32)28(21)23)17-36(27)31(38)29-20(10-13-39-29)8-6-19-7-9-25-26(14-19)34-12-11-33-25;1-19-13-23-14-20(8-10-27(23)33-17-19)7-9-21-11-12-37-29(21)31(36)34-18-24-15-22-5-3-4-6-25(22)26(24)16-28(34)30(35)32-2;1-34(2)28(36)24-14-20-19(13-18-4-3-5-21(30)26(18)20)15-35(24)29(37)27-25(38-16-33-27)9-7-17-6-8-22-23(12-17)32-11-10-31-22;1-29-27(35)25-14-21-19(13-18-4-2-3-5-20(18)21)15-34(25)28(36)26-23(32-16-33-26)9-7-17-6-8-22-24(12-17)31-11-10-30-22;32-27(31-16-19-14-18-3-1-2-4-20(18)22(19)15-25(31)28(33)34)21-9-12-35-26(21)8-6-17-5-7-23-24(13-17)30-11-10-29-23/h3-5,7,9-14,18,27H,6,8,15-17H2,1-2H3,(H,35,37);3-6,8,10-12,14,17,28H,1,7,9,13,15-16,18H2,2H3,(H,32,35);3-6,8,10-12,16,24H,7,9,13-15H2,1-2H3;2-6,8,10-12,16,25H,7,9,13-15H2,1H3,(H,29,35)(H,32,33);1-5,7,9-13,25H,6,8,14-16H2,(H,33,34)/t27-;28-;24-;2*25-/m11111/s1
InChIKeyBFVUUEGQEPJJDF-UEFGSEFTSA-N
MW2487.88 g/mol
LogP21.49
Rot. Bonds26

About (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid

(3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid (PubChem CID 157336092) has the molecular formula C147H133F2N21O14S and a molecular weight of 2487.88 g/mol. Its IUPAC name is (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid
PubChem CID157336092
Molecular FormulaC147H133F2N21O14S
Molecular Weight2487.88 g/mol
Exact Mass2486.00
IUPAC Name(3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid
SMILESC=C1C=Nc2ccc(CCc3ccoc3C(=O)N3CC4=C(C[C@@H]3C(=O)NC)c3ccccc3C4)cc2C1.CC(C)NC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2nccnc2c1.CN(C)C(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1ncsc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1nc[nH]c1CCc1ccc2nccnc2c1.O=C(O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1ccoc1CCc1ccc2nccnc2c1
InChIInChI=1S/C31H29FN4O3.C31H29N3O3.C29H26FN5O2S.C28H26N6O2.C28H23N3O4/c1-18(2)35-30(37)27-16-23-22(15-21-4-3-5-24(32)28(21)23)17-36(27)31(38)29-20(10-13-39-29)8-6-19-7-9-25-26(14-19)34-12-11-33-25;1-19-13-23-14-20(8-10-27(23)33-17-19)7-9-21-11-12-37-29(21)31(36)34-18-24-15-22-5-3-4-6-25(22)26(24)16-28(34)30(35)32-2;1-34(2)28(36)24-14-20-19(13-18-4-3-5-21(30)26(18)20)15-35(24)29(37)27-25(38-16-33-27)9-7-17-6-8-22-23(12-17)32-11-10-31-22;1-29-27(35)25-14-21-19(13-18-4-2-3-5-20(18)21)15-34(25)28(36)26-23(32-16-33-26)9-7-17-6-8-22-24(12-17)31-11-10-30-22;32-27(31-16-19-14-18-3-1-2-4-20(18)22(19)15-25(31)28(33)34)21-9-12-35-26(21)8-6-17-5-7-23-24(13-17)30-11-10-29-23/h3-5,7,9-14,18,27H,6,8,15-17H2,1-2H3,(H,35,37);3-6,8,10-12,14,17,28H,1,7,9,13,15-16,18H2,2H3,(H,32,35);3-6,8,10-12,16,24H,7,9,13-15H2,1-2H3;2-6,8,10-12,16,25H,7,9,13-15H2,1H3,(H,29,35)(H,32,33);1-5,7,9-13,25H,6,8,14-16H2,(H,33,34)/t27-;28-;24-;2*25-/m11111/s1
InChIKeyBFVUUEGQEPJJDF-UEFGSEFTSA-N
XLogP21.49
TPSA442.93 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002487.88
LogP ≤ 521.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 158850034
(2-amino-2-oxoethyl) 2-[(2-naphthalen-1-ylacetyl)amino]benzoate;2-[1-[2-(2-fluorophenoxy)ethyl]benzimidazol-2-yl]sulfanylacetic acid;3-[1-(furan-2-ylmethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid;(3S)-N-(3-imidazol-1-ylpropyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanoic acid;3-[5-(4-methylphenyl)-1-(2-phenylethyl)pyrrol-2-yl]propanoic acid
CID 159867004
(3R)-2-[3-[[2H-benzimidazol-5-yl(methyl)amino]methyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-6-fluoro-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-3-yl]-morpholin-4-ylmethanone;(3R)-N-methyl-2-[2-(2-quinolin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[2-(2-quinoxalin-6-ylethyl)benzoyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[5-[(quinolin-7-ylamino)methyl]-1,3-thiazol-4-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 160473791
(3R)-6-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-6-fluoro-N-methyl-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-5-fluoro-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-3-yl]-morpholin-4-ylmethanone;(3R)-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)pyridine-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[4-(2-quinoxalin-6-ylethyl)-1,3-thiazole-5-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 160720901
(3R)-2-[3-[2-(1,3-benzothiazol-6-yl)ethyl]furan-2-carbonyl]-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-6-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(7-fluoro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone;[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide
CID 161487627

Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid?
The IUPAC name of (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid (CID 157336092) is (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid?
The canonical SMILES for (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid is C=C1C=Nc2ccc(CCc3ccoc3C(=O)N3CC4=C(C[C@@H]3C(=O)NC)c3ccccc3C4)cc2C1.CC(C)NC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2nccnc2c1.CN(C)C(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1ncsc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1nc[nH]c1CCc1ccc2nccnc2c1.O=C(O)[C@H]1CC2=C(Cc3ccccc32)CN1C(=O)c1ccoc1CCc1ccc2nccnc2c1.
What is the InChIKey of (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid?
The InChIKey is BFVUUEGQEPJJDF-UEFGSEFTSA-N. The full InChI is InChI=1S/C31H29FN4O3.C31H29N3O3.C29H26FN5O2S.C28H26N6O2.C28H23N3O4/c1-18(2)35-30(37)27-16-23-22(15-21-4-3-5-24(32)28(21)23)17-36(27)31(38)29-20(10-13-39-29)8-6-19-7-9-25-26(14-19)34-12-11-33-25;1-19-13-23-14-20(8-10-27(23)33-17-19)7-9-21-11-12-37-29(21)31(36)34-18-24-15-22-5-3-4-6-25(22)26(24)16-28(34)30(35)32-2;1-34(2)28(36)24-14-20-19(13-18-4-3-5-21(30)26(18)20)15-35(24)29(37)27-25(38-16-33-27)9-7-17-6-8-22-23(12-17)32-11-10-31-22;1-29-27(35)25-14-21-19(13-18-4-2-3-5-20(18)21)15-34(25)28(36)26-23(32-16-33-26)9-7-17-6-8-22-24(12-17)31-11-10-30-22;32-27(31-16-19-14-18-3-1-2-4-20(18)22(19)15-25(31)28(33)34)21-9-12-35-26(21)8-6-17-5-7-23-24(13-17)30-11-10-29-23/h3-5,7,9-14,18,27H,6,8,15-17H2,1-2H3,(H,35,37);3-6,8,10-12,14,17,28H,1,7,9,13,15-16,18H2,2H3,(H,32,35);3-6,8,10-12,16,24H,7,9,13-15H2,1-2H3;2-6,8,10-12,16,25H,7,9,13-15H2,1H3,(H,29,35)(H,32,33);1-5,7,9-13,25H,6,8,14-16H2,(H,33,34)/t27-;28-;24-;2*25-/m11111/s1.
What are the key properties of (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid?
(3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid has a molecular weight of 2487.88 g/mol, XLogP of 21.49, 26 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-fluoro-N,N-dimethyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-propan-2-yl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[3-[2-(3-methylidene-4H-quinolin-6-yl)ethyl]furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1H-imidazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-2-[2-(2-quinoxalin-6-ylethyl)furan-3-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 157336092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).