1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide

C24H25ClN6O3 — CID 129229565

IUPAC1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H](CC(=O)Nc3cccc(Cl)n3)C[C@H]3CCC[C@H]32)c2ccccc12
InChIInChI=1S/C24H25ClN6O3/c25-19-9-4-10-20(27-19)28-21(32)12-15-11-14-5-3-8-17(14)31(15)22(33)13-30-18-7-2-1-6-16(18)23(29-30)24(26)34/h1-2,4,6-7,9-10,14-15,17H,3,5,8,11-13H2,(H2,26,34)(H,27,28,32)/t14-,15-,17-/m1/s1
InChIKeyOKCYBYUBWLCRBE-BFYDXBDKSA-N
MW480.96 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 129229565) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID129229565
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC Name1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H](CC(=O)Nc3cccc(Cl)n3)C[C@H]3CCC[C@H]32)c2ccccc12
InChIInChI=1S/C24H25ClN6O3/c25-19-9-4-10-20(27-19)28-21(32)12-15-11-14-5-3-8-17(14)31(15)22(33)13-30-18-7-2-1-6-16(18)23(29-30)24(26)34/h1-2,4,6-7,9-10,14-15,17H,3,5,8,11-13H2,(H2,26,34)(H,27,28,32)/t14-,15-,17-/m1/s1
InChIKeyOKCYBYUBWLCRBE-BFYDXBDKSA-N
XLogP2.98
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

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Related Compounds

1-[2-[(2S,3aS,6aS)-2-[(6-bromo-2-pyridinyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217075
(2S,3aS,6aS)-1-[2-(3-acetyl-5-bromoindazol-1-yl)acetyl]-N-(6-chloro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 138601874
methyl N-[3-carbamoyl-1-[2-[(1S,5R,7S)-7-[(6-chloro-2-pyridinyl)carbamoyl]-6-azabicyclo[3.2.1]octan-6-yl]-2-oxoethyl]indazol-5-yl]carbamate
CID 142495939
(1R,3S,4S)-2-[2-(3-acetylindazol-1-yl)acetyl]-N-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 129229645
5-chloro-1-[2-[(1S,4R)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217367
methyl 3-carbamoyl-1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-5-carboxylate
CID 129229646
1-[2-[(1S,4S,6R,7S)-3-[(6-chloro-2-pyridinyl)methylcarbamoyl]-6,7-dihydroxy-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129229662
5-[(2-chlorobenzoyl)amino]-1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 142495954
1-[2-[(4S)-3-[[6-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129229812
1-[2-[(1R,3S,4S)-3-[[6-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129229219
1-[2-[(1R,3S,4S)-3-[[6-(2-fluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129229345
tert-butyl N-[3-carbamoyl-1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-6-yl]carbamate
CID 142496096

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 129229565) is 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H](CC(=O)Nc3cccc(Cl)n3)C[C@H]3CCC[C@H]32)c2ccccc12.
What is the InChIKey of 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is OKCYBYUBWLCRBE-BFYDXBDKSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c25-19-9-4-10-20(27-19)28-21(32)12-15-11-14-5-3-8-17(14)31(15)22(33)13-30-18-7-2-1-6-16(18)23(29-30)24(26)34/h1-2,4,6-7,9-10,14-15,17H,3,5,8,11-13H2,(H2,26,34)(H,27,28,32)/t14-,15-,17-/m1/s1.
What are the key properties of 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3aR,6aR)-2-[2-[(6-chloro-2-pyridinyl)amino]-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 129229565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).