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

C20H24N6O — CID 44573447

IUPAC3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESNc1ccnc(N2CCC(n3c(=O)n(CC4CC4)c4cccnc43)CC2)c1
InChIInChI=1S/C20H24N6O/c21-15-5-9-22-18(12-15)24-10-6-16(7-11-24)26-19-17(2-1-8-23-19)25(20(26)27)13-14-3-4-14/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H2,21,22)
InChIKeyRIPIWVOJURKQMI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.43
Rot. Bonds4

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

3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 44573447) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID44573447
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESNc1ccnc(N2CCC(n3c(=O)n(CC4CC4)c4cccnc43)CC2)c1
InChIInChI=1S/C20H24N6O/c21-15-5-9-22-18(12-15)24-10-6-16(7-11-24)26-19-17(2-1-8-23-19)25(20(26)27)13-14-3-4-14/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H2,21,22)
InChIKeyRIPIWVOJURKQMI-UHFFFAOYSA-N
XLogP2.43
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.43
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-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one (CID 44573447) is 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one is Nc1ccnc(N2CCC(n3c(=O)n(CC4CC4)c4cccnc43)CC2)c1.
What is the InChIKey of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is RIPIWVOJURKQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-15-5-9-22-18(12-15)24-10-6-16(7-11-24)26-19-17(2-1-8-23-19)25(20(26)27)13-14-3-4-14/h1-2,5,8-9,12,14,16H,3-4,6-7,10-11,13H2,(H2,21,22).
What are the key properties of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one?
3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.43, 4 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-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 44573447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).