2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H19N5O — CID 135943660

IUPAC2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C14H19N5O/c1-9(2)13-17-12-3-4-19(7-10-5-15-16-6-10)8-11(12)14(20)18-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)(H,17,18,20)
InChIKeyHGFOQGBCOCNDKT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds3

About 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943660) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943660
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C14H19N5O/c1-9(2)13-17-12-3-4-19(7-10-5-15-16-6-10)8-11(12)14(20)18-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)(H,17,18,20)
InChIKeyHGFOQGBCOCNDKT-UHFFFAOYSA-N
XLogP1.17
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943662
4-methyl-5-propan-2-yl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 137278930
4-ethyl-1,6-dimethyl-2-(1H-pyrazol-4-yl)-4H-pyrimidine-5-carboxamide
CID 166794212
7-methyl-2-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 178262674
2-Methyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942501
6-[(1-Methylpyrazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942502
2-Tert-butyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942503
6-[(1-Methylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942510
2-Cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942514
6-[(1-Ethylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943559
6-[(1-Ethylpyrazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943560
2-Tert-butyl-6-[(1-ethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943561

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943660) is 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1)CC2.
What is the InChIKey of 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HGFOQGBCOCNDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)13-17-12-3-4-19(7-10-5-15-16-6-10)8-11(12)14(20)18-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)(H,17,18,20).
What are the key properties of 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).