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

C22H24F3N5O4 — CID 155167082

IUPACN-(2-hydroxyethyl)-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)NCCO)cc2n1
InChIInChI=1S/C22H24F3N5O4/c1-21(2,34)7-6-13-11-30-12-16(14(10-18(30)27-13)19(32)26-8-9-31)29-20(33)15-4-3-5-17(28-15)22(23,24)25/h3-5,10-12,31,34H,6-9H2,1-2H3,(H,26,32)(H,29,33)
InChIKeyMSTJZNIQKUIFSO-UHFFFAOYSA-N
MW479.46 g/mol
LogP2.43
Rot. Bonds8

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

N-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155167082) has the molecular formula C22H24F3N5O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155167082
Molecular FormulaC22H24F3N5O4
Molecular Weight479.46 g/mol
Exact Mass479.18
IUPAC NameN-(2-hydroxyethyl)-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)NCCO)cc2n1
InChIInChI=1S/C22H24F3N5O4/c1-21(2,34)7-6-13-11-30-12-16(14(10-18(30)27-13)19(32)26-8-9-31)29-20(33)15-4-3-5-17(28-15)22(23,24)25/h3-5,10-12,31,34H,6-9H2,1-2H3,(H,26,32)(H,29,33)
InChIKeyMSTJZNIQKUIFSO-UHFFFAOYSA-N
XLogP2.43
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-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-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155167082) is N-(2-hydroxyethyl)-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-hydroxyethyl)-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-hydroxyethyl)-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)NCCO)cc2n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is MSTJZNIQKUIFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O4/c1-21(2,34)7-6-13-11-30-12-16(14(10-18(30)27-13)19(32)26-8-9-31)29-20(33)15-4-3-5-17(28-15)22(23,24)25/h3-5,10-12,31,34H,6-9H2,1-2H3,(H,26,32)(H,29,33).
What are the key properties of N-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
N-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155167082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).