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

C24H28F3N5O3 — CID 164822086

IUPACN-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCCC(O)C3)cc2n1
InChIInChI=1S/C24H28F3N5O3/c1-23(2,35)9-8-15-12-32-14-18(19(11-21(32)28-15)31-10-4-5-16(33)13-31)30-22(34)17-6-3-7-20(29-17)24(25,26)27/h3,6-7,11-12,14,16,33,35H,4-5,8-10,13H2,1-2H3,(H,30,34)
InChIKeyOFGMFPQPCWYEHK-UHFFFAOYSA-N
MW491.51 g/mol
LogP3.66
Rot. Bonds6

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

N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164822086) has the molecular formula C24H28F3N5O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164822086
Molecular FormulaC24H28F3N5O3
Molecular Weight491.51 g/mol
Exact Mass491.21
IUPAC NameN-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCCC(O)C3)cc2n1
InChIInChI=1S/C24H28F3N5O3/c1-23(2,35)9-8-15-12-32-14-18(19(11-21(32)28-15)31-10-4-5-16(33)13-31)30-22(34)17-6-3-7-20(29-17)24(25,26)27/h3,6-7,11-12,14,16,33,35H,4-5,8-10,13H2,1-2H3,(H,30,34)
InChIKeyOFGMFPQPCWYEHK-UHFFFAOYSA-N
XLogP3.66
TPSA102.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164822086) is N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(N3CCCC(O)C3)cc2n1.
What is the InChIKey of N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OFGMFPQPCWYEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3/c1-23(2,35)9-8-15-12-32-14-18(19(11-21(32)28-15)31-10-4-5-16(33)13-31)30-22(34)17-6-3-7-20(29-17)24(25,26)27/h3,6-7,11-12,14,16,33,35H,4-5,8-10,13H2,1-2H3,(H,30,34).
What are the key properties of N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 491.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-3-methylbutyl)-7-(3-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164822086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).