2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one

C18H17N7O — CID 137209480

IUPAC2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESCn1ncc2c(N3CCCC3c3nc4ccccc4c(=O)[nH]3)ncnc21
InChIInChI=1S/C18H17N7O/c1-24-16-12(9-21-24)17(20-10-19-16)25-8-4-7-14(25)15-22-13-6-3-2-5-11(13)18(26)23-15/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,22,23,26)
InChIKeySSMHRXDXUFNMAF-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.94
Rot. Bonds2

About 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one

2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one (PubChem CID 137209480) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
PubChem CID137209480
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESCn1ncc2c(N3CCCC3c3nc4ccccc4c(=O)[nH]3)ncnc21
InChIInChI=1S/C18H17N7O/c1-24-16-12(9-21-24)17(20-10-19-16)25-8-4-7-14(25)15-22-13-6-3-2-5-11(13)18(26)23-15/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,22,23,26)
InChIKeySSMHRXDXUFNMAF-UHFFFAOYSA-N
XLogP1.94
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 33379975
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209653
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 42891735
2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209654
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
1,6-dimethyl-4-(2-phenylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816112
1,6-dimethyl-4-[(2S)-2-phenylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94521504
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one (CID 137209480) is 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one is Cn1ncc2c(N3CCCC3c3nc4ccccc4c(=O)[nH]3)ncnc21.
What is the InChIKey of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The InChIKey is SSMHRXDXUFNMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-24-16-12(9-21-24)17(20-10-19-16)25-8-4-7-14(25)15-22-13-6-3-2-5-11(13)18(26)23-15/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,22,23,26).
What are the key properties of 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one has a molecular weight of 347.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137209480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).