N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine

C23H25FN4 — CID 142174311

IUPACN-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc2c(C3C=CN=CC3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H25FN4/c1-16(2)14-26-15-20-4-3-5-21-22(17-10-12-25-13-11-17)23(27-28(20)21)18-6-8-19(24)9-7-18/h3-10,12-13,16-17,26H,11,14-15H2,1-2H3
InChIKeyNOIQRNSXKOHXCP-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.96
Rot. Bonds6

About N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine

N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine (PubChem CID 142174311) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine
PubChem CID142174311
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC NameN-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc2c(C3C=CN=CC3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H25FN4/c1-16(2)14-26-15-20-4-3-5-21-22(17-10-12-25-13-11-17)23(27-28(20)21)18-6-8-19(24)9-7-18/h3-10,12-13,16-17,26H,11,14-15H2,1-2H3
InChIKeyNOIQRNSXKOHXCP-UHFFFAOYSA-N
XLogP4.96
TPSA41.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine (CID 142174311) is N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc2c(C3C=CN=CC3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NOIQRNSXKOHXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4/c1-16(2)14-26-15-20-4-3-5-21-22(17-10-12-25-13-11-17)23(27-28(20)21)18-6-8-19(24)9-7-18/h3-10,12-13,16-17,26H,11,14-15H2,1-2H3.
What are the key properties of N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 376.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dihydropyridin-4-yl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 142174311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).