3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile

C21H15FN6 — CID 10133732

IUPAC3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C21H15FN6/c22-15-4-2-14(3-5-15)20-19(18-8-1-13(11-23)12-28(18)27-20)17-9-10-24-21(26-17)25-16-6-7-16/h1-5,8-10,12,16H,6-7H2,(H,24,25,26)
InChIKeyCCPYQRYMNOYXGL-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.04
Rot. Bonds4

About 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile

3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 10133732) has the molecular formula C21H15FN6 and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID10133732
Molecular FormulaC21H15FN6
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C21H15FN6/c22-15-4-2-14(3-5-15)20-19(18-8-1-13(11-23)12-28(18)27-20)17-9-10-24-21(26-17)25-16-6-7-16/h1-5,8-10,12,16H,6-7H2,(H,24,25,26)
InChIKeyCCPYQRYMNOYXGL-UHFFFAOYSA-N
XLogP4.04
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

Amdizalisib
CID 118981804
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
(3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 155570095
(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 155570096
3-[4-[2-(4-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 155570099
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile (CID 10133732) is 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile is N#Cc1ccc2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nn2c1.
What is the InChIKey of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is CCPYQRYMNOYXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6/c22-15-4-2-14(3-5-15)20-19(18-8-1-13(11-23)12-28(18)27-20)17-9-10-24-21(26-17)25-16-6-7-16/h1-5,8-10,12,16H,6-7H2,(H,24,25,26).
What are the key properties of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile?
3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 370.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 10133732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).