4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one

C12H15N5O — CID 162658680

IUPAC4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc3c(c2C)CNCC3)n1
InChIInChI=1S/C12H15N5O/c1-7-5-11(18)15-12(14-7)17-8(2)9-6-13-4-3-10(9)16-17/h5,13H,3-4,6H2,1-2H3,(H,14,15,18)
InChIKeyRDRFRSBUWUIKGF-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.22
Rot. Bonds1

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

4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one (PubChem CID 162658680) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
PubChem CID162658680
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc3c(c2C)CNCC3)n1
InChIInChI=1S/C12H15N5O/c1-7-5-11(18)15-12(14-7)17-8(2)9-6-13-4-3-10(9)16-17/h5,13H,3-4,6H2,1-2H3,(H,14,15,18)
InChIKeyRDRFRSBUWUIKGF-UHFFFAOYSA-N
XLogP0.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2,3-diazatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 162677010
2-[3,5-dimethyl-4-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136253209
2-(3,5-dimethyl-4-(3-(2-methylpiperidin-1-yl)-3-oxopropyl)-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
CID 136253210
4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
CID 162655129
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 162660614
4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one
CID 162662513
2-(3-ethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-4(3H)-one
CID 162671888
US10118930, Example 30
CID 137018250
US10118930, Example 26
CID 137018653
US10118930, Example 333
CID 137018656
US10118930, Example 368
CID 137018693
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-isobutylpropanamide
CID 135885916

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one (CID 162658680) is 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc3c(c2C)CNCC3)n1.
What is the InChIKey of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is RDRFRSBUWUIKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-5-11(18)15-12(14-7)17-8(2)9-6-13-4-3-10(9)16-17/h5,13H,3-4,6H2,1-2H3,(H,14,15,18).
What are the key properties of 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one?
4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 245.29 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162658680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).