5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide

C22H20FN5O2 — CID 58198763

IUPAC5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H20FN5O2/c1-26(2)22(30)17-12-24-27(3)21(17)19(29)10-14-8-9-28-13-18(25-20(28)11-14)15-4-6-16(23)7-5-15/h4-9,11-13H,10H2,1-3H3
InChIKeyYQWCWPZMGZZLLE-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.00
Rot. Bonds5

About 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide

5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide (PubChem CID 58198763) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide
PubChem CID58198763
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H20FN5O2/c1-26(2)22(30)17-12-24-27(3)21(17)19(29)10-14-8-9-28-13-18(25-20(28)11-14)15-4-6-16(23)7-5-15/h4-9,11-13H,10H2,1-3H3
InChIKeyYQWCWPZMGZZLLE-UHFFFAOYSA-N
XLogP3.00
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide (CID 58198763) is 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide is CN(C)C(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide?
The InChIKey is YQWCWPZMGZZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-26(2)22(30)17-12-24-27(3)21(17)19(29)10-14-8-9-28-13-18(25-20(28)11-14)15-4-6-16(23)7-5-15/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide?
5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetyl]-N,N,1-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58198763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).