2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide

C23H18Cl2N4O2 — CID 154832645

About 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide

2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 154832645) has the molecular formula C23H18Cl2N4O2 and a molecular weight of 453.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 154832645
• Molecular Formula: C23H18Cl2N4O2
• Molecular Weight: 453.33 g/mol
• Exact Mass: 452.08
• IUPAC Name: 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC1c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H18Cl2N4O2/c24-19-8-7-15(11-20(19)25)17-12-18(17)22(30)26-16-5-3-4-14(10-16)13-29-23(31)28-9-2-1-6-21(28)27-29/h1-11,17-18H,12-13H2,(H,26,30)
• InChIKey: UWEXILYEYPBNFJ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 68.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.33
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide (CID 154832645) is 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C1CC1c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide?

The InChIKey is UWEXILYEYPBNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2/c24-19-8-7-15(11-20(19)25)17-12-18(17)22(30)26-16-5-3-4-14(10-16)13-29-23(31)28-9-2-1-6-21(28)27-29/h1-11,17-18H,12-13H2,(H,26,30).

What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide?

2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 453.33 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dichlorophenyl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154832645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).