N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide

C25H21Cl2N7O2 — CID 44528544

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide
SMILESNc1nonc1-c1nc2c(-c3cccc(Cl)c3)nccc2n1CCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2N7O2/c26-17-7-5-15(6-8-17)13-20(35)29-10-2-12-34-19-9-11-30-21(16-3-1-4-18(27)14-16)22(19)31-25(34)23-24(28)33-36-32-23/h1,3-9,11,14H,2,10,12-13H2,(H2,28,33)(H,29,35)
InChIKeyQIFCRIGSPCBLOS-UHFFFAOYSA-N
MW522.40 g/mol
LogP4.79
Rot. Bonds8

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide (PubChem CID 44528544) has the molecular formula C25H21Cl2N7O2 and a molecular weight of 522.40 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide
PubChem CID44528544
Molecular FormulaC25H21Cl2N7O2
Molecular Weight522.40 g/mol
Exact Mass521.11
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide
SMILESNc1nonc1-c1nc2c(-c3cccc(Cl)c3)nccc2n1CCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C25H21Cl2N7O2/c26-17-7-5-15(6-8-17)13-20(35)29-10-2-12-34-19-9-11-30-21(16-3-1-4-18(27)14-16)22(19)31-25(34)23-24(28)33-36-32-23/h1,3-9,11,14H,2,10,12-13H2,(H2,28,33)(H,29,35)
InChIKeyQIFCRIGSPCBLOS-UHFFFAOYSA-N
XLogP4.79
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide (CID 44528544) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide is Nc1nonc1-c1nc2c(-c3cccc(Cl)c3)nccc2n1CCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is QIFCRIGSPCBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O2/c26-17-7-5-15(6-8-17)13-20(35)29-10-2-12-34-19-9-11-30-21(16-3-1-4-18(27)14-16)22(19)31-25(34)23-24(28)33-36-32-23/h1,3-9,11,14H,2,10,12-13H2,(H2,28,33)(H,29,35).
What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 522.40 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-chlorophenyl)imidazo[4,5-c]pyridin-1-yl]propyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 44528544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).