3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride

C24H25ClN4O2 — CID 70601730

IUPAC3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride
SMILESCl.O=c1n(CC2CN(Cc3ccccc3)CCO2)c2ncccc2n1-c1ccccc1
InChIInChI=1S/C24H24N4O2.ClH/c29-24-27(18-21-17-26(14-15-30-21)16-19-8-3-1-4-9-19)23-22(12-7-13-25-23)28(24)20-10-5-2-6-11-20;/h1-13,21H,14-18H2;1H
InChIKeyKPMSRSPSDQUVBO-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.51
Rot. Bonds5

About 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride

3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride (PubChem CID 70601730) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride
PubChem CID70601730
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride
SMILESCl.O=c1n(CC2CN(Cc3ccccc3)CCO2)c2ncccc2n1-c1ccccc1
InChIInChI=1S/C24H24N4O2.ClH/c29-24-27(18-21-17-26(14-15-30-21)16-19-8-3-1-4-9-19)23-22(12-7-13-25-23)28(24)20-10-5-2-6-11-20;/h1-13,21H,14-18H2;1H
InChIKeyKPMSRSPSDQUVBO-UHFFFAOYSA-N
XLogP3.51
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride?
The IUPAC name of 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride (CID 70601730) is 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride is Cl.O=c1n(CC2CN(Cc3ccccc3)CCO2)c2ncccc2n1-c1ccccc1.
What is the InChIKey of 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride?
The InChIKey is KPMSRSPSDQUVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2.ClH/c29-24-27(18-21-17-26(14-15-30-21)16-19-8-3-1-4-9-19)23-22(12-7-13-25-23)28(24)20-10-5-2-6-11-20;/h1-13,21H,14-18H2;1H.
What are the key properties of 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride?
3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride has a molecular weight of 436.94 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylmorpholin-2-yl)methyl]-1-phenylimidazo[4,5-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 70601730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).