6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C50H48Cl2N10O2 — CID 159551967

IUPAC6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(Cl)c4)cn23)CC1.CN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(Cl)c4)cn23)CC1
InChIInChI=1S/2C25H24ClN5O/c2*1-30-12-9-20(10-13-30)29-25(32)22-15-28-23-8-7-18(16-31(22)23)21-6-3-11-27-24(21)17-4-2-5-19(26)14-17/h2*2-8,11,14-16,20H,9-10,12-13H2,1H3,(H,29,32)
InChIKeyMFMUREPDGNQTQC-UHFFFAOYSA-N
MW891.91 g/mol
LogP9.08
Rot. Bonds8

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

6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 159551967) has the molecular formula C50H48Cl2N10O2 and a molecular weight of 891.91 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID159551967
Molecular FormulaC50H48Cl2N10O2
Molecular Weight891.91 g/mol
Exact Mass890.33
IUPAC Name6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(Cl)c4)cn23)CC1.CN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(Cl)c4)cn23)CC1
InChIInChI=1S/2C25H24ClN5O/c2*1-30-12-9-20(10-13-30)29-25(32)22-15-28-23-8-7-18(16-31(22)23)21-6-3-11-27-24(21)17-4-2-5-19(26)14-17/h2*2-8,11,14-16,20H,9-10,12-13H2,1H3,(H,29,32)
InChIKeyMFMUREPDGNQTQC-UHFFFAOYSA-N
XLogP9.08
TPSA125.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.91
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

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
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-3-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900108
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(2-(pyridin-4-yl)ethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46900259
7-chloro-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 68234693
6-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234858
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dichlorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 164625441
8-[(4-Aminocyclohexyl)amino]-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
CID 46863083
2-(4-Chlorophenyl)-8-(piperidin-4-ylamino)imidazo[1,2-a]pyrazine-5-carboxamide
CID 46863199
2-(4-Chlorophenyl)-8-[[4-(methylamino)cyclohexyl]amino]imidazo[1,2-a]pyrazine-5-carboxamide
CID 46863435
8-[(4-Aminocyclohexyl)amino]-2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrazine-5-carboxamide
CID 46863436
N-(2-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 46882707

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 159551967) is 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(Cl)c4)cn23)CC1.CN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(Cl)c4)cn23)CC1.
What is the InChIKey of 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MFMUREPDGNQTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24ClN5O/c2*1-30-12-9-20(10-13-30)29-25(32)22-15-28-23-8-7-18(16-31(22)23)21-6-3-11-27-24(21)17-4-2-5-19(26)14-17/h2*2-8,11,14-16,20H,9-10,12-13H2,1H3,(H,29,32).
What are the key properties of 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 891.91 g/mol, XLogP of 9.08, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 159551967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).