N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

C22H22F5N5O3 — CID 155167035

IUPACN-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NCC(F)F)cc2n1
InChIInChI=1S/C22H22F5N5O3/c1-21(2,35)7-6-12-10-32-11-15(13(8-18(32)29-12)19(33)28-9-17(23)24)31-20(34)14-4-3-5-16(30-14)22(25,26)27/h3-5,8,10-11,17,35H,6-7,9H2,1-2H3,(H,28,33)(H,31,34)
InChIKeyXOGIZTQHCIFRIV-UHFFFAOYSA-N
MW499.44 g/mol
LogP3.70
Rot. Bonds8

About N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155167035) has the molecular formula C22H22F5N5O3 and a molecular weight of 499.44 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155167035
Molecular FormulaC22H22F5N5O3
Molecular Weight499.44 g/mol
Exact Mass499.16
IUPAC NameN-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NCC(F)F)cc2n1
InChIInChI=1S/C22H22F5N5O3/c1-21(2,35)7-6-12-10-32-11-15(13(8-18(32)29-12)19(33)28-9-17(23)24)31-20(34)14-4-3-5-16(30-14)22(25,26)27/h3-5,8,10-11,17,35H,6-7,9H2,1-2H3,(H,28,33)(H,31,34)
InChIKeyXOGIZTQHCIFRIV-UHFFFAOYSA-N
XLogP3.70
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.44
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155167035) is N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)NCC(F)F)cc2n1.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is XOGIZTQHCIFRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F5N5O3/c1-21(2,35)7-6-12-10-32-11-15(13(8-18(32)29-12)19(33)28-9-17(23)24)31-20(34)14-4-3-5-16(30-14)22(25,26)27/h3-5,8,10-11,17,35H,6-7,9H2,1-2H3,(H,28,33)(H,31,34).
What are the key properties of N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 499.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155167035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).