N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide

C25H31ClN4O — CID 140605983

IUPACN-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)CC(CC(NC(=O)c1cccc2nccn12)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H31ClN4O/c1-18(2)16-20(19-8-10-21(26)11-9-19)17-24(29-13-3-4-14-29)28-25(31)22-6-5-7-23-27-12-15-30(22)23/h5-12,15,18,20,24H,3-4,13-14,16-17H2,1-2H3,(H,28,31)
InChIKeyHZKRMGGDNNSCPY-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.36
Rot. Bonds8

About N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide

N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 140605983) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID140605983
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC NameN-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)CC(CC(NC(=O)c1cccc2nccn12)N1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C25H31ClN4O/c1-18(2)16-20(19-8-10-21(26)11-9-19)17-24(29-13-3-4-14-29)28-25(31)22-6-5-7-23-27-12-15-30(22)23/h5-12,15,18,20,24H,3-4,13-14,16-17H2,1-2H3,(H,28,31)
InChIKeyHZKRMGGDNNSCPY-UHFFFAOYSA-N
XLogP5.36
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 140605983) is N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide is CC(C)CC(CC(NC(=O)c1cccc2nccn12)N1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is HZKRMGGDNNSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O/c1-18(2)16-20(19-8-10-21(26)11-9-19)17-24(29-13-3-4-14-29)28-25(31)22-6-5-7-23-27-12-15-30(22)23/h5-12,15,18,20,24H,3-4,13-14,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 439.00 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-methyl-1-pyrrolidin-1-ylhexyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 140605983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).