N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C48H53Cl3N8O4 — CID 90012131

IUPACN-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cc2cnccc2[nH]1.O=C(NCCCCC1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C24H26Cl2N4O2.C24H27ClN4O2/c25-19-11-17(12-20(26)14-19)24(32)30-9-5-16(6-10-30)3-1-2-7-28-23(31)22-13-18-15-27-8-4-21(18)29-22;25-21-6-3-5-19(16-21)24(31)28-13-9-18(10-14-28)4-1-2-11-27-23(30)20-7-8-22-26-12-15-29(22)17-20/h4,8,11-16,29H,1-3,5-7,9-10H2,(H,28,31);3,5-8,12,15-18H,1-2,4,9-11,13-14H2,(H,27,30)
InChIKeyJLUUVXIATFODJO-UHFFFAOYSA-N
MW912.36 g/mol
LogP9.76
Rot. Bonds14

About N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90012131) has the molecular formula C48H53Cl3N8O4 and a molecular weight of 912.36 g/mol. Its IUPAC name is N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90012131
Molecular FormulaC48H53Cl3N8O4
Molecular Weight912.36 g/mol
Exact Mass910.33
IUPAC NameN-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cc2cnccc2[nH]1.O=C(NCCCCC1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C24H26Cl2N4O2.C24H27ClN4O2/c25-19-11-17(12-20(26)14-19)24(32)30-9-5-16(6-10-30)3-1-2-7-28-23(31)22-13-18-15-27-8-4-21(18)29-22;25-21-6-3-5-19(16-21)24(31)28-13-9-18(10-14-28)4-1-2-11-27-23(30)20-7-8-22-26-12-15-29(22)17-20/h4,8,11-16,29H,1-3,5-7,9-10H2,(H,28,31);3,5-8,12,15-18H,1-2,4,9-11,13-14H2,(H,27,30)
InChIKeyJLUUVXIATFODJO-UHFFFAOYSA-N
XLogP9.76
TPSA144.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.36
LogP ≤ 59.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90012131) is N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)c1cc2cnccc2[nH]1.O=C(NCCCCC1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is JLUUVXIATFODJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2.C24H27ClN4O2/c25-19-11-17(12-20(26)14-19)24(32)30-9-5-16(6-10-30)3-1-2-7-28-23(31)22-13-18-15-27-8-4-21(18)29-22;25-21-6-3-5-19(16-21)24(31)28-13-9-18(10-14-28)4-1-2-11-27-23(30)20-7-8-22-26-12-15-29(22)17-20/h4,8,11-16,29H,1-3,5-7,9-10H2,(H,28,31);3,5-8,12,15-18H,1-2,4,9-11,13-14H2,(H,27,30).
What are the key properties of N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 912.36 g/mol, XLogP of 9.76, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-chlorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[4-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).