2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one

C15H17N7O — CID 59258941

IUPAC2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2N1CCCC1
InChIInChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyNJIOLSCEXVZLDD-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258941) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258941
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2N1CCCC1
InChIInChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyNJIOLSCEXVZLDD-UHFFFAOYSA-N
XLogP0.80
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one (CID 59258941) is 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2N1CCCC1.
What is the InChIKey of 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NJIOLSCEXVZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 311.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-(1H-pyrazol-4-yl)-8-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).