(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone

C18H22N4O2 — CID 176506230

IUPAC(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCCC1)N1C[C@@H]2C[C@@H](O)[C@@H]2C1
InChIInChI=1S/C18H22N4O2/c23-16-6-12-8-21(9-14(12)16)18(24)11-5-15-17(19-7-11)22(10-20-15)13-3-1-2-4-13/h5,7,10,12-14,16,23H,1-4,6,8-9H2/t12-,14+,16+/m0/s1
InChIKeyRXWXKTXJXWPVQS-JGGQBBKZSA-N
MW326.40 g/mol
LogP2.00
Rot. Bonds2

About (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone

(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone (PubChem CID 176506230) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone.

Molecular Properties

Compound Name(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
PubChem CID176506230
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CCCC1)N1C[C@@H]2C[C@@H](O)[C@@H]2C1
InChIInChI=1S/C18H22N4O2/c23-16-6-12-8-21(9-14(12)16)18(24)11-5-15-17(19-7-11)22(10-20-15)13-3-1-2-4-13/h5,7,10,12-14,16,23H,1-4,6,8-9H2/t12-,14+,16+/m0/s1
InChIKeyRXWXKTXJXWPVQS-JGGQBBKZSA-N
XLogP2.00
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone with MolForge

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Related Compounds

1-(3-cyclopentylimidazo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 175644781
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 176503873
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 176500396
[2-(aminomethyl)piperidin-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506235
[(3aR,4R,5S,6aR)-4,5-bis(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505777
[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 176503897
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
furan-2-yl-[4-[3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperazin-1-yl]methanone
CID 176500253
3-cyclopentyl-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503225
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 175642980
3-cyclopentyl-N-[(4,6-dimethyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176505473
3-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176500545

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The IUPAC name of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone (CID 176506230) is (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone.
What is the SMILES notation for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The canonical SMILES for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone is O=C(c1cnc2c(c1)ncn2C1CCCC1)N1C[C@@H]2C[C@@H](O)[C@@H]2C1.
What is the InChIKey of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
The InChIKey is RXWXKTXJXWPVQS-JGGQBBKZSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16-6-12-8-21(9-14(12)16)18(24)11-5-15-17(19-7-11)22(10-20-15)13-3-1-2-4-13/h5,7,10,12-14,16,23H,1-4,6,8-9H2/t12-,14+,16+/m0/s1.
What are the key properties of (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone?
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S,6R)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]methanone is sourced from PubChem (CID 176506230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).