4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one

C20H22N6O2 — CID 172662066

IUPAC4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one
SMILESCc1cnc(Cn2ccc(C)c(C(=O)N3CCc4n[nH]c(C)c4C3)c2=O)cn1
InChIInChI=1S/C20H22N6O2/c1-12-4-6-25(10-15-9-21-13(2)8-22-15)19(27)18(12)20(28)26-7-5-17-16(11-26)14(3)23-24-17/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,23,24)
InChIKeyNZHNDDHUSRUVIH-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.53
Rot. Bonds3

About 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one (PubChem CID 172662066) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one
PubChem CID172662066
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one
SMILESCc1cnc(Cn2ccc(C)c(C(=O)N3CCc4n[nH]c(C)c4C3)c2=O)cn1
InChIInChI=1S/C20H22N6O2/c1-12-4-6-25(10-15-9-21-13(2)8-22-15)19(27)18(12)20(28)26-7-5-17-16(11-26)14(3)23-24-17/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,23,24)
InChIKeyNZHNDDHUSRUVIH-UHFFFAOYSA-N
XLogP1.53
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one?
The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one (CID 172662066) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one?
The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one is Cc1cnc(Cn2ccc(C)c(C(=O)N3CCc4n[nH]c(C)c4C3)c2=O)cn1.
What is the InChIKey of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one?
The InChIKey is NZHNDDHUSRUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-4-6-25(10-15-9-21-13(2)8-22-15)19(27)18(12)20(28)26-7-5-17-16(11-26)14(3)23-24-17/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,23,24).
What are the key properties of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one?
4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyridin-2-one is sourced from PubChem (CID 172662066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).