3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H18F4N6O2 — CID 51042500

IUPAC3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(O)(c1cn(Cc2ccn3c(-c4ccc(F)cc4)c(C(N)=O)nc3c2)nn1)C(F)(F)F
InChIInChI=1S/C21H18F4N6O2/c1-2-20(33,21(23,24)25)15-11-30(29-28-15)10-12-7-8-31-16(9-12)27-17(19(26)32)18(31)13-3-5-14(22)6-4-13/h3-9,11,33H,2,10H2,1H3,(H2,26,32)
InChIKeyHZKVVNFWCDDFCL-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.04
Rot. Bonds6

About 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 51042500) has the molecular formula C21H18F4N6O2 and a molecular weight of 462.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID51042500
Molecular FormulaC21H18F4N6O2
Molecular Weight462.41 g/mol
Exact Mass462.14
IUPAC Name3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(O)(c1cn(Cc2ccn3c(-c4ccc(F)cc4)c(C(N)=O)nc3c2)nn1)C(F)(F)F
InChIInChI=1S/C21H18F4N6O2/c1-2-20(33,21(23,24)25)15-11-30(29-28-15)10-12-7-8-31-16(9-12)27-17(19(26)32)18(31)13-3-5-14(22)6-4-13/h3-9,11,33H,2,10H2,1H3,(H2,26,32)
InChIKeyHZKVVNFWCDDFCL-UHFFFAOYSA-N
XLogP3.04
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 51042500) is 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is CCC(O)(c1cn(Cc2ccn3c(-c4ccc(F)cc4)c(C(N)=O)nc3c2)nn1)C(F)(F)F.
What is the InChIKey of 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HZKVVNFWCDDFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O2/c1-2-20(33,21(23,24)25)15-11-30(29-28-15)10-12-7-8-31-16(9-12)27-17(19(26)32)18(31)13-3-5-14(22)6-4-13/h3-9,11,33H,2,10H2,1H3,(H2,26,32).
What are the key properties of 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide?
3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 462.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 51042500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).