3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one

C20H19N5O2 — CID 123301197

IUPAC3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ccc(C3=CC4CN(C(=O)c5cccnc5)CC4C3)nc21
InChIInChI=1S/C20H19N5O2/c1-24-18-17(23-20(24)27)5-4-16(22-18)13-7-14-10-25(11-15(14)8-13)19(26)12-3-2-6-21-9-12/h2-7,9,14-15H,8,10-11H2,1H3,(H,23,27)
InChIKeyVSVIJVRXTJCAGG-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.83
Rot. Bonds2

About 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one

3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 123301197) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID123301197
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ccc(C3=CC4CN(C(=O)c5cccnc5)CC4C3)nc21
InChIInChI=1S/C20H19N5O2/c1-24-18-17(23-20(24)27)5-4-16(22-18)13-7-14-10-25(11-15(14)8-13)19(26)12-3-2-6-21-9-12/h2-7,9,14-15H,8,10-11H2,1H3,(H,23,27)
InChIKeyVSVIJVRXTJCAGG-UHFFFAOYSA-N
XLogP1.83
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

1-[(2,2-difluorocyclopropyl)methyl]-3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]imidazo[4,5-b]pyridin-2-one
CID 71117112
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
(2S,3aS,6aS)-N,1-dimethyl-5-(pyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97377308
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
(3aR,6aS)-5-phenyl-2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 155869142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 123301197) is 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one is Cn1c(=O)[nH]c2ccc(C3=CC4CN(C(=O)c5cccnc5)CC4C3)nc21.
What is the InChIKey of 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VSVIJVRXTJCAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-24-18-17(23-20(24)27)5-4-16(22-18)13-7-14-10-25(11-15(14)8-13)19(26)12-3-2-6-21-9-12/h2-7,9,14-15H,8,10-11H2,1H3,(H,23,27).
What are the key properties of 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 361.41 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(pyridine-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123301197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).