2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H22N6O2 — CID 98061886

IUPAC2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3ccnc3)[nH]n2c(=O)c1C
InChIInChI=1S/C18H22N6O2/c1-11-12(2)20-16-9-14(21-24(16)17(11)25)15-5-4-7-23(15)18(26)13(3)22-8-6-19-10-22/h6,8-10,13,15,21H,4-5,7H2,1-3H3/t13-,15-/m1/s1
InChIKeyGKFASLBQTSBZMD-UKRRQHHQSA-N
MW354.41 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061886) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061886
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3ccnc3)[nH]n2c(=O)c1C
InChIInChI=1S/C18H22N6O2/c1-11-12(2)20-16-9-14(21-24(16)17(11)25)15-5-4-7-23(15)18(26)13(3)22-8-6-19-10-22/h6,8-10,13,15,21H,4-5,7H2,1-3H3/t13-,15-/m1/s1
InChIKeyGKFASLBQTSBZMD-UKRRQHHQSA-N
XLogP1.76
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214716
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214720
5,6-dimethyl-2-[(2S)-1-[2-(methylamino)benzoyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029804
5,6-dimethyl-2-[1-(oxolane-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216099
(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762407
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56819392
2-[(2S)-1-(2-aminobenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029868
benzyl 2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 130205460
2-[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98079538
5-[(2S)-1-(2-methylpropanoyl)pyrrolidin-2-yl]-12-propan-2-yl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98080122

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98061886) is 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc([C@H]3CCCN3C(=O)[C@@H](C)n3ccnc3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GKFASLBQTSBZMD-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-12(2)20-16-9-14(21-24(16)17(11)25)15-5-4-7-23(15)18(26)13(3)22-8-6-19-10-22/h6,8-10,13,15,21H,4-5,7H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).