4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

C19H21N7O2 — CID 137049200

IUPAC4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2C)n1
InChIInChI=1S/C19H21N7O2/c1-13-11-17(27)23-19(22-13)26-14(2)15(12-21-26)18(28)25-9-7-24(8-10-25)16-5-3-4-6-20-16/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,27)
InChIKeyVWOZDOVBWYYSRA-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.93
Rot. Bonds3

About 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one

4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 137049200) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID137049200
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2C)n1
InChIInChI=1S/C19H21N7O2/c1-13-11-17(27)23-19(22-13)26-14(2)15(12-21-26)18(28)25-9-7-24(8-10-25)16-5-3-4-6-20-16/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,27)
InChIKeyVWOZDOVBWYYSRA-UHFFFAOYSA-N
XLogP0.93
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

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6-methyl-N-(1-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330913
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid [5-(azetidine-1-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 58548168
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
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CID 137174251
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
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CID 137049058

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one (CID 137049200) is 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2ncc(C(=O)N3CCN(c4ccccn4)CC3)c2C)n1.
What is the InChIKey of 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is VWOZDOVBWYYSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-11-17(27)23-19(22-13)26-14(2)15(12-21-26)18(28)25-9-7-24(8-10-25)16-5-3-4-6-20-16/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,27).
What are the key properties of 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 379.42 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137049200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).