6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C27H25ClFN5O — CID 123201472

IUPAC6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC=Cc1cc(F)c(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCN(C)CC4)n3c2)cc1Cl
InChIInChI=1S/C27H25ClFN5O/c1-3-17-13-23(29)21(14-22(17)28)26-20(5-4-10-30-26)18-6-7-25-31-15-24(34(25)16-18)27(35)32-19-8-11-33(2)12-9-19/h3-7,10,13-16,19H,1,8-9,11-12H2,2H3,(H,32,35)
InChIKeyIWCIILOWTIUETL-UHFFFAOYSA-N
MW489.98 g/mol
LogP5.32
Rot. Bonds5

About 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123201472) has the molecular formula C27H25ClFN5O and a molecular weight of 489.98 g/mol. Its IUPAC name is 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID123201472
Molecular FormulaC27H25ClFN5O
Molecular Weight489.98 g/mol
Exact Mass489.17
IUPAC Name6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC=Cc1cc(F)c(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCN(C)CC4)n3c2)cc1Cl
InChIInChI=1S/C27H25ClFN5O/c1-3-17-13-23(29)21(14-22(17)28)26-20(5-4-10-30-26)18-6-7-25-31-15-24(34(25)16-18)27(35)32-19-8-11-33(2)12-9-19/h3-7,10,13-16,19H,1,8-9,11-12H2,2H3,(H,32,35)
InChIKeyIWCIILOWTIUETL-UHFFFAOYSA-N
XLogP5.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.98
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Asn-007
CID 124122366
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900258
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
(2-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744107
(3-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744270
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
(2S)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 44431995
4-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carbonyl)piperazin-2-one
CID 46899593
1-(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)-2-(pyridin-3-ylamino)ethanone
CID 46899937
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899941

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 123201472) is 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is C=Cc1cc(F)c(-c2ncccc2-c2ccc3ncc(C(=O)NC4CCN(C)CC4)n3c2)cc1Cl.
What is the InChIKey of 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IWCIILOWTIUETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O/c1-3-17-13-23(29)21(14-22(17)28)26-20(5-4-10-30-26)18-6-7-25-31-15-24(34(25)16-18)27(35)32-19-8-11-33(2)12-9-19/h3-7,10,13-16,19H,1,8-9,11-12H2,2H3,(H,32,35).
What are the key properties of 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.98 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-4-ethenyl-2-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123201472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).