2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C23H21ClF2N4O2 — CID 11956730

IUPAC2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccc(Cl)c1)c1nc2n(c1C(=O)NCc1ccc(F)cc1F)CCCC2
InChIInChI=1S/C23H21ClF2N4O2/c1-29(23(32)14-5-4-6-16(24)11-14)21-20(30-10-3-2-7-19(30)28-21)22(31)27-13-15-8-9-17(25)12-18(15)26/h4-6,8-9,11-12H,2-3,7,10,13H2,1H3,(H,27,31)
InChIKeyGIZLLLISSQXNPA-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.36
Rot. Bonds5

About 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 11956730) has the molecular formula C23H21ClF2N4O2 and a molecular weight of 458.90 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID11956730
Molecular FormulaC23H21ClF2N4O2
Molecular Weight458.90 g/mol
Exact Mass458.13
IUPAC Name2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccc(Cl)c1)c1nc2n(c1C(=O)NCc1ccc(F)cc1F)CCCC2
InChIInChI=1S/C23H21ClF2N4O2/c1-29(23(32)14-5-4-6-16(24)11-14)21-20(30-10-3-2-7-19(30)28-21)22(31)27-13-15-8-9-17(25)12-18(15)26/h4-6,8-9,11-12H,2-3,7,10,13H2,1H3,(H,27,31)
InChIKeyGIZLLLISSQXNPA-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl-(3-chlorobenzoyl)amino]-N-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68766886
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68769480
2-[butyl-(3-chlorobenzoyl)amino]-N-(2-phenoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 11956850
2-[butyl-(3-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 140532381
2-[benzoyl(methyl)amino]-N-benzyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68770071
N-butyl-3-chloro-N-[3-(4-piperidin-1-ylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzamide
CID 11956787
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68767376
2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 140532372
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 11956461
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 11956730) is 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C(=O)c1cccc(Cl)c1)c1nc2n(c1C(=O)NCc1ccc(F)cc1F)CCCC2.
What is the InChIKey of 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GIZLLLISSQXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N4O2/c1-29(23(32)14-5-4-6-16(24)11-14)21-20(30-10-3-2-7-19(30)28-21)22(31)27-13-15-8-9-17(25)12-18(15)26/h4-6,8-9,11-12H,2-3,7,10,13H2,1H3,(H,27,31).
What are the key properties of 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 458.90 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 11956730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).