4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline

C22H19ClFN3 — CID 118554437

IUPAC4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline
SMILESCN(Cc1ccn2ncc(-c3ccc(CF)cc3)c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClFN3/c1-26(20-8-6-19(23)7-9-20)15-17-10-11-27-22(12-17)21(14-25-27)18-4-2-16(13-24)3-5-18/h2-12,14H,13,15H2,1H3
InChIKeyZZHGBMHUWOYZPW-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.76
Rot. Bonds5

About 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline

4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline (PubChem CID 118554437) has the molecular formula C22H19ClFN3 and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline
PubChem CID118554437
Molecular FormulaC22H19ClFN3
Molecular Weight379.87 g/mol
Exact Mass379.13
IUPAC Name4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline
SMILESCN(Cc1ccn2ncc(-c3ccc(CF)cc3)c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClFN3/c1-26(20-8-6-19(23)7-9-20)15-17-10-11-27-22(12-17)21(14-25-27)18-4-2-16(13-24)3-5-18/h2-12,14H,13,15H2,1H3
InChIKeyZZHGBMHUWOYZPW-UHFFFAOYSA-N
XLogP5.76
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline?
The IUPAC name of 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline (CID 118554437) is 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline.
What is the SMILES notation for 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline?
The canonical SMILES for 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline is CN(Cc1ccn2ncc(-c3ccc(CF)cc3)c2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline?
The InChIKey is ZZHGBMHUWOYZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3/c1-26(20-8-6-19(23)7-9-20)15-17-10-11-27-22(12-17)21(14-25-27)18-4-2-16(13-24)3-5-18/h2-12,14H,13,15H2,1H3.
What are the key properties of 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline?
4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline has a molecular weight of 379.87 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[4-(fluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-N-methylaniline is sourced from PubChem (CID 118554437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).