4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C24H26ClN5O — CID 45488931

IUPAC4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2[nH]cnc2C1c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN5O/c25-18-6-4-17(5-7-18)23-22-21(26-16-27-22)12-15-30(23)24(31)28-19-8-10-20(11-9-19)29-13-2-1-3-14-29/h4-11,16,23H,1-3,12-15H2,(H,26,27)(H,28,31)
InChIKeyYJPKAIVYJOQOBD-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.23
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 45488931) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID45488931
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2[nH]cnc2C1c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN5O/c25-18-6-4-17(5-7-18)23-22-21(26-16-27-22)12-15-30(23)24(31)28-19-8-10-20(11-9-19)29-13-2-1-3-14-29/h4-11,16,23H,1-3,12-15H2,(H,26,27)(H,28,31)
InChIKeyYJPKAIVYJOQOBD-UHFFFAOYSA-N
XLogP5.23
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 45488931) is 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2[nH]cnc2C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is YJPKAIVYJOQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c25-18-6-4-17(5-7-18)23-22-21(26-16-27-22)12-15-30(23)24(31)28-19-8-10-20(11-9-19)29-13-2-1-3-14-29/h4-11,16,23H,1-3,12-15H2,(H,26,27)(H,28,31).
What are the key properties of 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 45488931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).