6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C16H22N6O — CID 163493437

IUPAC6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C3=CCNN3)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C16H22N6O/c1-5-17-16-19-10(4)11-8-12(13-6-7-18-21-13)15(23)22(9(2)3)14(11)20-16/h6,8-9,18,21H,5,7H2,1-4H3,(H,17,19,20)
InChIKeyCOOHDYLGLUMQJF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds4

About 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 163493437) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID163493437
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(C)c2cc(C3=CCNN3)c(=O)n(C(C)C)c2n1
InChIInChI=1S/C16H22N6O/c1-5-17-16-19-10(4)11-8-12(13-6-7-18-21-13)15(23)22(9(2)3)14(11)20-16/h6,8-9,18,21H,5,7H2,1-4H3,(H,17,19,20)
InChIKeyCOOHDYLGLUMQJF-UHFFFAOYSA-N
XLogP1.56
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 163493437) is 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(C)c2cc(C3=CCNN3)c(=O)n(C(C)C)c2n1.
What is the InChIKey of 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is COOHDYLGLUMQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-5-17-16-19-10(4)11-8-12(13-6-7-18-21-13)15(23)22(9(2)3)14(11)20-16/h6,8-9,18,21H,5,7H2,1-4H3,(H,17,19,20).
What are the key properties of 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 314.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-pyrazol-5-yl)-2-(ethylamino)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163493437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).