N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H23FN4O2 — CID 155541619

IUPACN-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCCC3)n2c1
InChIInChI=1S/C22H23FN4O2/c1-14-10-11-18-25-20(26-21(28)15-6-5-7-16(23)12-15)19(27(18)13-14)22(29)24-17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H,24,29)(H,26,28)
InChIKeyYNKCLVWYGQNNRG-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.10
Rot. Bonds4

About N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide

N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155541619) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155541619
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCCC3)n2c1
InChIInChI=1S/C22H23FN4O2/c1-14-10-11-18-25-20(26-21(28)15-6-5-7-16(23)12-15)19(27(18)13-14)22(29)24-17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H,24,29)(H,26,28)
InChIKeyYNKCLVWYGQNNRG-UHFFFAOYSA-N
XLogP4.10
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 155541619) is N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCCC3)n2c1.
What is the InChIKey of N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YNKCLVWYGQNNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-14-10-11-18-25-20(26-21(28)15-6-5-7-16(23)12-15)19(27(18)13-14)22(29)24-17-8-3-2-4-9-17/h5-7,10-13,17H,2-4,8-9H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-fluorobenzoyl)amino]-6-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155541619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).