6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide

C24H19F3N4O — CID 118590483

IUPAC6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12
InChIInChI=1S/C24H19F3N4O/c25-15-3-6-17(7-4-15)29-24(32)22-13-28-23-10-8-18(14-31(22)23)30-11-1-2-21(30)19-12-16(26)5-9-20(19)27/h3-10,12-14,21H,1-2,11H2,(H,29,32)
InChIKeyCNHYZGWDMRJBNF-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.35
Rot. Bonds4

About 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590483) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118590483
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12
InChIInChI=1S/C24H19F3N4O/c25-15-3-6-17(7-4-15)29-24(32)22-13-28-23-10-8-18(14-31(22)23)30-11-1-2-21(30)19-12-16(26)5-9-20(19)27/h3-10,12-14,21H,1-2,11H2,(H,29,32)
InChIKeyCNHYZGWDMRJBNF-UHFFFAOYSA-N
XLogP5.35
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 118590483) is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12.
What is the InChIKey of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CNHYZGWDMRJBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c25-15-3-6-17(7-4-15)29-24(32)22-13-28-23-10-8-18(14-31(22)23)30-11-1-2-21(30)19-12-16(26)5-9-20(19)27/h3-10,12-14,21H,1-2,11H2,(H,29,32).
What are the key properties of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).