3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C13H9FN6O2 — CID 143588094

IUPAC3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=Cc1cc(C(=O)NCc2ncccn2)n2ncc(F)c2n1
InChIInChI=1S/C13H9FN6O2/c14-9-5-18-20-10(4-8(7-21)19-12(9)20)13(22)17-6-11-15-2-1-3-16-11/h1-5,7H,6H2,(H,17,22)
InChIKeyFCZKMNFDYKTUMD-UHFFFAOYSA-N
MW300.25 g/mol
LogP0.40
Rot. Bonds4

About 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 143588094) has the molecular formula C13H9FN6O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID143588094
Molecular FormulaC13H9FN6O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=Cc1cc(C(=O)NCc2ncccn2)n2ncc(F)c2n1
InChIInChI=1S/C13H9FN6O2/c14-9-5-18-20-10(4-8(7-21)19-12(9)20)13(22)17-6-11-15-2-1-3-16-11/h1-5,7H,6H2,(H,17,22)
InChIKeyFCZKMNFDYKTUMD-UHFFFAOYSA-N
XLogP0.40
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56752963
N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50972188
N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74235987
6-methyl-2-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 100754407
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]acetamide
CID 164633812
2,5-dimethyl-N-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazole-3-carboxamide
CID 58248809
2-fluoro-N-(6-formylimidazo[1,2-b]pyridazin-2-yl)pyridine-4-carboxamide
CID 90246052
1-methyl-N-[(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 156377666
1-methyl-N-[(1R)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 156377667
1-methyl-N-[(1S)-1-(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 164930632
6-(difluoromethyl)-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide
CID 166825419
6-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]pyrimidine-4-carboxamide
CID 166825428

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 143588094) is 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=Cc1cc(C(=O)NCc2ncccn2)n2ncc(F)c2n1.
What is the InChIKey of 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is FCZKMNFDYKTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6O2/c14-9-5-18-20-10(4-8(7-21)19-12(9)20)13(22)17-6-11-15-2-1-3-16-11/h1-5,7H,6H2,(H,17,22).
What are the key properties of 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 300.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-formyl-N-(pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143588094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).