N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

C135H159F3N28O14 — CID 158131070

IUPACN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cnc2N1.C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1
InChIInChI=1S/C24H30N6O2.C23H25FN4O2.C23H28N6O2.2C22H23FN4O3.C21H30N4O2/c1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16;1-23(17-4-2-5-18(24)11-17)12-15-10-16(13-25-21(15)26-23)22(30)27-9-7-19(14-27)28-8-3-6-20(28)29;1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15;1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;1-22(16-3-2-4-17(23)10-16)11-14-9-15(12-24-19(14)25-22)20(28)26-6-5-18(13-26)27-7-8-30-21(27)29;1-21(2)9-7-15-11-16(12-22-18(15)23-21)20(27)25-10-8-17(13-25)24(3)19(26)14-5-4-6-14/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28);2,4-5,10-11,13,19H,3,6-9,12,14H2,1H3,(H,25,26);9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27);2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);2-4,9-10,12,18H,5-8,11,13H2,1H3,(H,24,25);11-12,14,17H,4-10,13H2,1-3H3,(H,22,23)/t20-,24+;2*19-,23+;2*18-,22+;17-/m000000/s1
InChIKeyFSTXJULXEMKTGR-XDQZMPOKSA-N
MW2454.93 g/mol
LogP16.02
Rot. Bonds20

About N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 158131070) has the molecular formula C135H159F3N28O14 and a molecular weight of 2454.93 g/mol. Its IUPAC name is N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID158131070
Molecular FormulaC135H159F3N28O14
Molecular Weight2454.93 g/mol
Exact Mass2453.25
IUPAC NameN-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cnc2N1.C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1
InChIInChI=1S/C24H30N6O2.C23H25FN4O2.C23H28N6O2.2C22H23FN4O3.C21H30N4O2/c1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16;1-23(17-4-2-5-18(24)11-17)12-15-10-16(13-25-21(15)26-23)22(30)27-9-7-19(14-27)28-8-3-6-20(28)29;1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15;1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;1-22(16-3-2-4-17(23)10-16)11-14-9-15(12-24-19(14)25-22)20(28)26-6-5-18(13-26)27-7-8-30-21(27)29;1-21(2)9-7-15-11-16(12-22-18(15)23-21)20(27)25-10-8-17(13-25)24(3)19(26)14-5-4-6-14/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28);2,4-5,10-11,13,19H,3,6-9,12,14H2,1H3,(H,25,26);9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27);2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);2-4,9-10,12,18H,5-8,11,13H2,1H3,(H,24,25);11-12,14,17H,4-10,13H2,1-3H3,(H,22,23)/t20-,24+;2*19-,23+;2*18-,22+;17-/m000000/s1
InChIKeyFSTXJULXEMKTGR-XDQZMPOKSA-N
XLogP16.02
TPSA463.26 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.93
LogP ≤ 516.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 158131070) is N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CCC(C)(C)N3)C1.CN(C(=O)C1CCC1)[C@H]1CCN(C(=O)c2cnc3c(c2)CC[C@](C)(c2cncnc2)N3)C1.C[C@]1(c2ccc(F)cc2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)N3CC[C@H](N4CCCC4=O)C3)cnc2N1.C[C@]1(c2cccc(F)c2)Cc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)cnc2N1.
What is the InChIKey of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is FSTXJULXEMKTGR-XDQZMPOKSA-N. The full InChI is InChI=1S/C24H30N6O2.C23H25FN4O2.C23H28N6O2.2C22H23FN4O3.C21H30N4O2/c1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16;1-23(17-4-2-5-18(24)11-17)12-15-10-16(13-25-21(15)26-23)22(30)27-9-7-19(14-27)28-8-3-6-20(28)29;1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15;1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29;1-22(16-3-2-4-17(23)10-16)11-14-9-15(12-24-19(14)25-22)20(28)26-6-5-18(13-26)27-7-8-30-21(27)29;1-21(2)9-7-15-11-16(12-22-18(15)23-21)20(27)25-10-8-17(13-25)24(3)19(26)14-5-4-6-14/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28);2,4-5,10-11,13,19H,3,6-9,12,14H2,1H3,(H,25,26);9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27);2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25);2-4,9-10,12,18H,5-8,11,13H2,1H3,(H,24,25);11-12,14,17H,4-10,13H2,1-3H3,(H,22,23)/t20-,24+;2*19-,23+;2*18-,22+;17-/m000000/s1.
What are the key properties of N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 2454.93 g/mol, XLogP of 16.02, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;3-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide;N-methyl-N-[(3S)-1-[(7R)-7-methyl-7-pyrimidin-5-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 158131070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).