2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

C32H32N6O3 — CID 175719708

IUPAC2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)Cn2c(-c3cnc4c(c3)CCC4)c(C(N)=O)c3ccccc32)n1
InChIInChI=1S/C32H32N6O3/c1-18-6-4-11-26(35-18)36-32(41)30-20-12-13-22(15-20)38(30)27(39)17-37-25-10-3-2-8-23(25)28(31(33)40)29(37)21-14-19-7-5-9-24(19)34-16-21/h2-4,6,8,10-11,14,16,20,22,30H,5,7,9,12-13,15,17H2,1H3,(H2,33,40)(H,35,36,41)/t20-,22+,30-/m0/s1
InChIKeyBRVRROWCUMHQRI-QCAMCUJPSA-N
MW548.65 g/mol
LogP4.01
Rot. Bonds6

About 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (PubChem CID 175719708) has the molecular formula C32H32N6O3 and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
PubChem CID175719708
Molecular FormulaC32H32N6O3
Molecular Weight548.65 g/mol
Exact Mass548.25
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)Cn2c(-c3cnc4c(c3)CCC4)c(C(N)=O)c3ccccc32)n1
InChIInChI=1S/C32H32N6O3/c1-18-6-4-11-26(35-18)36-32(41)30-20-12-13-22(15-20)38(30)27(39)17-37-25-10-3-2-8-23(25)28(31(33)40)29(37)21-14-19-7-5-9-24(19)34-16-21/h2-4,6,8,10-11,14,16,20,22,30H,5,7,9,12-13,15,17H2,1H3,(H2,33,40)(H,35,36,41)/t20-,22+,30-/m0/s1
InChIKeyBRVRROWCUMHQRI-QCAMCUJPSA-N
XLogP4.01
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.65
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide with MolForge

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Related Compounds

1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)indole-3-carboxamide
CID 126653891
2-cyclopropylsulfonyl-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3,5-dicarboxamide
CID 126617608
1-[2-[(1R,3R,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indole-3-carboxamide
CID 126643289
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-quinolin-7-ylindole-3-carboxamide
CID 126653866
[3-carbamoyl-1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indol-5-yl]phosphonic acid
CID 126628912
1-[2-[(1R,3S,4S)-3-[(6-chloro-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-(2-methoxypyrimidin-5-yl)indazole-3-carboxamide
CID 142496180
5-[(3-ethylphenyl)carbamoylamino]-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 142496256
5-[(6-chloropyridazin-3-yl)amino]-1-[2-[(4R)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 126623805
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-naphthalen-2-yl-3H-indol-1-ium-3-carboxamide
CID 140776814
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
2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 142495965
(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

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (CID 175719708) is 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)Cn2c(-c3cnc4c(c3)CCC4)c(C(N)=O)c3ccccc32)n1.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The InChIKey is BRVRROWCUMHQRI-QCAMCUJPSA-N. The full InChI is InChI=1S/C32H32N6O3/c1-18-6-4-11-26(35-18)36-32(41)30-20-12-13-22(15-20)38(30)27(39)17-37-25-10-3-2-8-23(25)28(31(33)40)29(37)21-14-19-7-5-9-24(19)34-16-21/h2-4,6,8,10-11,14,16,20,22,30H,5,7,9,12-13,15,17H2,1H3,(H2,33,40)(H,35,36,41)/t20-,22+,30-/m0/s1.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide has a molecular weight of 548.65 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1-[2-[(1R,3S,4S)-3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 175719708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).