2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H17N5O2 — CID 110216191

IUPAC2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(C(=O)c4ccccn4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C17H17N5O2/c1-11-8-15-19-14(9-16(23)22(15)20-11)12-5-7-21(10-12)17(24)13-4-2-3-6-18-13/h2-4,6,8-9,12,20H,5,7,10H2,1H3
InChIKeyDACFLIDYKCEIOK-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.36
Rot. Bonds2

About 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216191) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216191
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(C(=O)c4ccccn4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C17H17N5O2/c1-11-8-15-19-14(9-16(23)22(15)20-11)12-5-7-21(10-12)17(24)13-4-2-3-6-18-13/h2-4,6,8-9,12,20H,5,7,10H2,1H3
InChIKeyDACFLIDYKCEIOK-UHFFFAOYSA-N
XLogP1.36
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132719
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110224443
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
4-(2-oxo-1H-pyridin-3-yl)-2-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136881792
5-ethyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214826
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216191) is 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C3CCN(C(=O)c4ccccn4)C3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DACFLIDYKCEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-8-15-19-14(9-16(23)22(15)20-11)12-5-7-21(10-12)17(24)13-4-2-3-6-18-13/h2-4,6,8-9,12,20H,5,7,10H2,1H3.
What are the key properties of 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.36 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).