3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide

C21H23FN4O — CID 155512041

IUPAC3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)ccc1F
InChIInChI=1S/C21H23FN4O/c1-14-13-16(8-9-17(14)22)19-20(25-26-12-4-11-23-21(19)26)24-18(27)10-7-15-5-2-3-6-15/h4,8-9,11-13,15H,2-3,5-7,10H2,1H3,(H,24,25,27)
InChIKeyVAIZIEAOVKTQON-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.75
Rot. Bonds5

About 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide

3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 155512041) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID155512041
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCc1cc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)ccc1F
InChIInChI=1S/C21H23FN4O/c1-14-13-16(8-9-17(14)22)19-20(25-26-12-4-11-23-21(19)26)24-18(27)10-7-15-5-2-3-6-15/h4,8-9,11-13,15H,2-3,5-7,10H2,1H3,(H,24,25,27)
InChIKeyVAIZIEAOVKTQON-UHFFFAOYSA-N
XLogP4.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-{(1S,2S)-2-Amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-YL]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium
CID 10320144
(2s,3s)-3-Amino-4-(3,3-Difluoropyrrolidin-1-Yl)-N,N-Dimethyl-4-Oxo-2-(Trans-4-[1,2,4]triazolo[1,5-A]pyridin-6-Ylcyclohexyl)butanamide
CID 11554165
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
2-methyl-N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539536
N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopentanecarboxamide
CID 6539537
N-[5-(3-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539543
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539544
Phenylalanine derived inhibitor, 5
CID 23647693
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(4-{[1,2,4]triazolo[1,5-a]pyridin-7-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895716
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-(4-{pyrazolo[1,5-a]pyrimidin-5-yl}phenyl)propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895717

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 155512041) is 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is Cc1cc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)ccc1F.
What is the InChIKey of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is VAIZIEAOVKTQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14-13-16(8-9-17(14)22)19-20(25-26-12-4-11-23-21(19)26)24-18(27)10-7-15-5-2-3-6-15/h4,8-9,11-13,15H,2-3,5-7,10H2,1H3,(H,24,25,27).
What are the key properties of 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide?
3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 366.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 155512041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).