N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C20H18F3N5O2 — CID 164799937

IUPACN-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3ncccc3C(F)(F)F)c(C#N)cc2n1
InChIInChI=1S/C20H18F3N5O2/c1-19(2,30)6-5-13-10-28-11-15(12(9-24)8-16(28)26-13)27-18(29)17-14(20(21,22)23)4-3-7-25-17/h3-4,7-8,10-11,30H,5-6H2,1-2H3,(H,27,29)
InChIKeyIDAGCTIZCYXVMS-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.58
Rot. Bonds5

About N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164799937) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164799937
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC NameN-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3ncccc3C(F)(F)F)c(C#N)cc2n1
InChIInChI=1S/C20H18F3N5O2/c1-19(2,30)6-5-13-10-28-11-15(12(9-24)8-16(28)26-13)27-18(29)17-14(20(21,22)23)4-3-7-25-17/h3-4,7-8,10-11,30H,5-6H2,1-2H3,(H,27,29)
InChIKeyIDAGCTIZCYXVMS-UHFFFAOYSA-N
XLogP3.58
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 145976309
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-5-(4-fluorophenyl)picolinamide
CID 23120572
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 145965412
4-cyano-N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide
CID 145980684
N-methyl-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-4-carboxamide
CID 68169943
N,6-dimethyl-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-4-carboxamide
CID 68170026
US11186579, Example 24
CID 146307416
US11186579, Example 16
CID 146307521
US10800784, Example 45
CID 148960008
US10800784, Example 43
CID 153311240
1-[(3-fluorophenyl)methyl]-N-[6-(methylamino)pyridin-3-yl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 25094155
N-butyl-2-[(2,6-difluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 155555560

Frequently Asked Questions

What is the IUPAC name of N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 164799937) is N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3ncccc3C(F)(F)F)c(C#N)cc2n1.
What is the InChIKey of N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IDAGCTIZCYXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-19(2,30)6-5-13-10-28-11-15(12(9-24)8-16(28)26-13)27-18(29)17-14(20(21,22)23)4-3-7-25-17/h3-4,7-8,10-11,30H,5-6H2,1-2H3,(H,27,29).
What are the key properties of N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).