3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H20FN5O — CID 170089728

IUPAC3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CC(NC(=O)c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2F)C1
InChIInChI=1S/C23H20FN5O/c1-28-13-17(14-28)25-23(30)21-20(24)22-26-18(15-8-4-2-5-9-15)12-19(29(22)27-21)16-10-6-3-7-11-16/h2-12,17H,13-14H2,1H3,(H,25,30)
InChIKeyDQKSLKIUHBFRHS-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.25
Rot. Bonds4

About 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 170089728) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID170089728
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CC(NC(=O)c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2F)C1
InChIInChI=1S/C23H20FN5O/c1-28-13-17(14-28)25-23(30)21-20(24)22-26-18(15-8-4-2-5-9-15)12-19(29(22)27-21)16-10-6-3-7-11-16/h2-12,17H,13-14H2,1H3,(H,25,30)
InChIKeyDQKSLKIUHBFRHS-UHFFFAOYSA-N
XLogP3.25
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170090156
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 170092111
5,7-diphenyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089470
N-(1-methylpyrrolidin-3-yl)-5-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175922920
methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
CID 101352935
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
methyl 3-amino-9,11-diphenyl-5-thia-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene-4-carboxylate
CID 10525024
1,3-dimethyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 167824044
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 4118984
2-(4,6-diphenylpyrimidin-2-yl)-3,5,7-triphenylpyrazolo[1,5-a]pyrimidine
CID 145133537

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 170089728) is 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CN1CC(NC(=O)c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2F)C1.
What is the InChIKey of 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DQKSLKIUHBFRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-28-13-17(14-28)25-23(30)21-20(24)22-26-18(15-8-4-2-5-9-15)12-19(29(22)27-21)16-10-6-3-7-11-16/h2-12,17H,13-14H2,1H3,(H,25,30).
What are the key properties of 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylazetidin-3-yl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 170089728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).