6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C19H12ClF4N5O — CID 122510946

IUPAC6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4cc(Cl)c(F)cc4F)ncn3CC(F)F)cn12
InChIInChI=1S/C19H12ClF4N5O/c20-11-3-10(12(21)4-13(11)22)17-18(28(8-27-17)7-15(23)24)9-1-2-16-26-5-14(19(25)30)29(16)6-9/h1-6,8,15H,7H2,(H2,25,30)
InChIKeyDVVZKICZALNZIH-UHFFFAOYSA-N
MW437.78 g/mol
LogP4.16
Rot. Bonds5

About 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510946) has the molecular formula C19H12ClF4N5O and a molecular weight of 437.78 g/mol. Its IUPAC name is 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510946
Molecular FormulaC19H12ClF4N5O
Molecular Weight437.78 g/mol
Exact Mass437.07
IUPAC Name6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4cc(Cl)c(F)cc4F)ncn3CC(F)F)cn12
InChIInChI=1S/C19H12ClF4N5O/c20-11-3-10(12(21)4-13(11)22)17-18(28(8-27-17)7-15(23)24)9-1-2-16-26-5-14(19(25)30)29(16)6-9/h1-6,8,15H,7H2,(H2,25,30)
InChIKeyDVVZKICZALNZIH-UHFFFAOYSA-N
XLogP4.16
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510946) is 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4cc(Cl)c(F)cc4F)ncn3CC(F)F)cn12.
What is the InChIKey of 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DVVZKICZALNZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N5O/c20-11-3-10(12(21)4-13(11)22)17-18(28(8-27-17)7-15(23)24)9-1-2-16-26-5-14(19(25)30)29(16)6-9/h1-6,8,15H,7H2,(H2,25,30).
What are the key properties of 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 437.78 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2,4-difluorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).