N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C28H32FN7O2 — CID 78051287

IUPACN-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1CCCC(C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c1
InChIInChI=1S/C28H32FN7O2/c1-18-5-4-6-19(2)35(18)12-10-30-27(37)21-7-8-23(29)24(13-21)33-28(38)25-16-31-26-14-20(9-11-36(25)26)22-15-32-34(3)17-22/h7-9,11,13-19H,4-6,10,12H2,1-3H3,(H,30,37)(H,33,38)
InChIKeyKAYLMABFSZHNFH-UHFFFAOYSA-N
MW517.61 g/mol
LogP4.12
Rot. Bonds7

About N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78051287) has the molecular formula C28H32FN7O2 and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID78051287
Molecular FormulaC28H32FN7O2
Molecular Weight517.61 g/mol
Exact Mass517.26
IUPAC NameN-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1CCCC(C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c1
InChIInChI=1S/C28H32FN7O2/c1-18-5-4-6-19(2)35(18)12-10-30-27(37)21-7-8-23(29)24(13-21)33-28(38)25-16-31-26-14-20(9-11-36(25)26)22-15-32-34(3)17-22/h7-9,11,13-19H,4-6,10,12H2,1-3H3,(H,30,37)(H,33,38)
InChIKeyKAYLMABFSZHNFH-UHFFFAOYSA-N
XLogP4.12
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 78051287) is N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CC1CCCC(C)N1CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c1.
What is the InChIKey of N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KAYLMABFSZHNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O2/c1-18-5-4-6-19(2)35(18)12-10-30-27(37)21-7-8-23(29)24(13-21)33-28(38)25-16-31-26-14-20(9-11-36(25)26)22-15-32-34(3)17-22/h7-9,11,13-19H,4-6,10,12H2,1-3H3,(H,30,37)(H,33,38).
What are the key properties of N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,6-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-fluorophenyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78051287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).