N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H27F3N4O3 — CID 166468053

IUPACN-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCC(CO)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H27F3N4O3/c1-14(2)34-20-10-22-29-18(16-8-6-15(13-32)7-9-16)11-31(22)12-19(20)30-23(33)17-4-3-5-21(28-17)24(25,26)27/h3-5,10-12,14-16,32H,6-9,13H2,1-2H3,(H,30,33)
InChIKeyUCVFWTZOZLIODB-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.05
Rot. Bonds6

About N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166468053) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166468053
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC NameN-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCC(CO)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H27F3N4O3/c1-14(2)34-20-10-22-29-18(16-8-6-15(13-32)7-9-16)11-31(22)12-19(20)30-23(33)17-4-3-5-21(28-17)24(25,26)27/h3-5,10-12,14-16,32H,6-9,13H2,1-2H3,(H,30,33)
InChIKeyUCVFWTZOZLIODB-UHFFFAOYSA-N
XLogP5.05
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468246
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175845324
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655358
N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998188
N-[2-[4-[[[1-[[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167304623
N-[2-[1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]butyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468081
N-[2-[1-[2-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]ethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;formic acid
CID 175845337
N-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxy-2-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 171573966
N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468151
N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468147
N-(2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;3-[4-[4-(dimethylamino)piperidin-1-yl]anilino]piperidine-2,6-dione
CID 166468063
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 166468053) is N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)Oc1cc2nc(C3CCC(CO)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UCVFWTZOZLIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-14(2)34-20-10-22-29-18(16-8-6-15(13-32)7-9-16)11-31(22)12-19(20)30-23(33)17-4-3-5-21(28-17)24(25,26)27/h3-5,10-12,14-16,32H,6-9,13H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166468053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).