3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one

C22H22N6O — CID 25256782

IUPAC3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one
SMILESNc1ccnc(N2CCC(n3c(=O)n(-c4ccccc4)c4cccnc43)CC2)c1
InChIInChI=1S/C22H22N6O/c23-16-8-12-24-20(15-16)26-13-9-18(10-14-26)28-21-19(7-4-11-25-21)27(22(28)29)17-5-2-1-3-6-17/h1-8,11-12,15,18H,9-10,13-14H2,(H2,23,24)
InChIKeyWPXGNLXJEOWBMM-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.01
Rot. Bonds3

About 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one

3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one (PubChem CID 25256782) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one
PubChem CID25256782
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one
SMILESNc1ccnc(N2CCC(n3c(=O)n(-c4ccccc4)c4cccnc43)CC2)c1
InChIInChI=1S/C22H22N6O/c23-16-8-12-24-20(15-16)26-13-9-18(10-14-26)28-21-19(7-4-11-25-21)27(22(28)29)17-5-2-1-3-6-17/h1-8,11-12,15,18H,9-10,13-14H2,(H2,23,24)
InChIKeyWPXGNLXJEOWBMM-UHFFFAOYSA-N
XLogP3.01
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one (CID 25256782) is 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one is Nc1ccnc(N2CCC(n3c(=O)n(-c4ccccc4)c4cccnc43)CC2)c1.
What is the InChIKey of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one?
The InChIKey is WPXGNLXJEOWBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-16-8-12-24-20(15-16)26-13-9-18(10-14-26)28-21-19(7-4-11-25-21)27(22(28)29)17-5-2-1-3-6-17/h1-8,11-12,15,18H,9-10,13-14H2,(H2,23,24).
What are the key properties of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one?
3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one has a molecular weight of 386.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-phenylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25256782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).