6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride

C20H26ClN5O2 — CID 163219978

IUPAC6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride
SMILESCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C20H25N5O2.ClH/c1-13-10-15(27-3)4-5-16(13)23-19-11-17-18(12-22-19)24(2)20(26)25(17)14-6-8-21-9-7-14;/h4-5,10-12,14,21H,6-9H2,1-3H3,(H,22,23);1H
InChIKeyQBWJNHSIQFDMHM-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.14
Rot. Bonds4

About 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride

6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride (PubChem CID 163219978) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride
PubChem CID163219978
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride
SMILESCOc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C20H25N5O2.ClH/c1-13-10-15(27-3)4-5-16(13)23-19-11-17-18(12-22-19)24(2)20(26)25(17)14-6-8-21-9-7-14;/h4-5,10-12,14,21H,6-9H2,1-3H3,(H,22,23);1H
InChIKeyQBWJNHSIQFDMHM-UHFFFAOYSA-N
XLogP3.14
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride?
The IUPAC name of 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride (CID 163219978) is 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride.
What is the SMILES notation for 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride?
The canonical SMILES for 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride is COc1ccc(Nc2cc3c(cn2)n(C)c(=O)n3C2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride?
The InChIKey is QBWJNHSIQFDMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.ClH/c1-13-10-15(27-3)4-5-16(13)23-19-11-17-18(12-22-19)24(2)20(26)25(17)14-6-8-21-9-7-14;/h4-5,10-12,14,21H,6-9H2,1-3H3,(H,22,23);1H.
What are the key properties of 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride?
6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride is sourced from PubChem (CID 163219978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).