N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

C26H31FN4O — CID 25268331

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cccc2nc(CN3CCCC3)cn12
InChIInChI=1S/C26H31FN4O/c27-21-11-9-20(10-12-21)26(13-2-1-3-14-26)19-28-25(32)23-7-6-8-24-29-22(18-31(23)24)17-30-15-4-5-16-30/h6-12,18H,1-5,13-17,19H2,(H,28,32)
InChIKeyFQJJTVMXLQRMCS-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.70
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25268331) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25268331
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cccc2nc(CN3CCCC3)cn12
InChIInChI=1S/C26H31FN4O/c27-21-11-9-20(10-12-21)26(13-2-1-3-14-26)19-28-25(32)23-7-6-8-24-29-22(18-31(23)24)17-30-15-4-5-16-30/h6-12,18H,1-5,13-17,19H2,(H,28,32)
InChIKeyFQJJTVMXLQRMCS-UHFFFAOYSA-N
XLogP4.70
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-N-[[1-(6-methyl-3-pyridinyl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862382
2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255796
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131924608
3-cyclopropyl-2-[5-[[1-(4-hydroxyphenyl)cyclohexyl]methylcarbamoyl]imidazo[1,2-a]pyridin-2-yl]propanoic acid
CID 143685576
N-[(1-pyridin-3-ylcyclohexyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 70862771
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
2-[2-[(1-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 70862409
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86827891
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide (CID 25268331) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCCCC1)c1cccc2nc(CN3CCCC3)cn12.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is FQJJTVMXLQRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c27-21-11-9-20(10-12-21)26(13-2-1-3-14-26)19-28-25(32)23-7-6-8-24-29-22(18-31(23)24)17-30-15-4-5-16-30/h6-12,18H,1-5,13-17,19H2,(H,28,32).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25268331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).