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

C23H24N6O — CID 44573446

IUPAC3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one
SMILESNc1ccnc(N2CCC(n3c(=O)n(Cc4ccccc4)c4cccnc43)CC2)c1
InChIInChI=1S/C23H24N6O/c24-18-8-12-25-21(15-18)27-13-9-19(10-14-27)29-22-20(7-4-11-26-22)28(23(29)30)16-17-5-2-1-3-6-17/h1-8,11-12,15,19H,9-10,13-14,16H2,(H2,24,25)
InChIKeyATDBQUVNASLGBB-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.07
Rot. Bonds4

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

3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one (PubChem CID 44573446) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one
PubChem CID44573446
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one
SMILESNc1ccnc(N2CCC(n3c(=O)n(Cc4ccccc4)c4cccnc43)CC2)c1
InChIInChI=1S/C23H24N6O/c24-18-8-12-25-21(15-18)27-13-9-19(10-14-27)29-22-20(7-4-11-26-22)28(23(29)30)16-17-5-2-1-3-6-17/h1-8,11-12,15,19H,9-10,13-14,16H2,(H2,24,25)
InChIKeyATDBQUVNASLGBB-UHFFFAOYSA-N
XLogP3.07
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.07
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-benzylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one (CID 44573446) is 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one is Nc1ccnc(N2CCC(n3c(=O)n(Cc4ccccc4)c4cccnc43)CC2)c1.
What is the InChIKey of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ATDBQUVNASLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c24-18-8-12-25-21(15-18)27-13-9-19(10-14-27)29-22-20(7-4-11-26-22)28(23(29)30)16-17-5-2-1-3-6-17/h1-8,11-12,15,19H,9-10,13-14,16H2,(H2,24,25).
What are the key properties of 3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one?
3-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-1-benzylimidazo[4,5-b]pyridin-2-one has a molecular weight of 400.49 g/mol, XLogP of 3.07, 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-benzylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 44573446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).