N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide

C21H22FN3O — CID 3587953

IUPACN-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
SMILESCc1ccn2c(NC(=O)C3CCCCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H22FN3O/c1-14-11-12-25-18(13-14)23-19(15-7-9-17(22)10-8-15)20(25)24-21(26)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,26)
InChIKeyXZCHPOCDLBVGNZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.97
Rot. Bonds3

About N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide

N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 3587953) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
PubChem CID3587953
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
SMILESCc1ccn2c(NC(=O)C3CCCCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C21H22FN3O/c1-14-11-12-25-18(13-14)23-19(15-7-9-17(22)10-8-15)20(25)24-21(26)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,26)
InChIKeyXZCHPOCDLBVGNZ-UHFFFAOYSA-N
XLogP4.97
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide (CID 3587953) is N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide is Cc1ccn2c(NC(=O)C3CCCCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is XZCHPOCDLBVGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14-11-12-25-18(13-14)23-19(15-7-9-17(22)10-8-15)20(25)24-21(26)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3587953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).