4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide

C13H14Cl2N4O — CID 86771936

About 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide

4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide (PubChem CID 86771936) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide
• PubChem CID: 86771936
• Molecular Formula: C13H14Cl2N4O
• Molecular Weight: 313.19 g/mol
• Exact Mass: 312.05
• IUPAC Name: 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide
• SMILES: Cn1c(C(=O)NC2CCc3nccn3C2)cc(Cl)c1Cl
• InChI: InChI=1S/C13H14Cl2N4O/c1-18-10(6-9(14)12(18)15)13(20)17-8-2-3-11-16-4-5-19(11)7-8/h4-6,8H,2-3,7H2,1H3,(H,17,20)
• InChIKey: VHNMQGPRPJIQRD-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 51.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.19
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide?

The IUPAC name of 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide (CID 86771936) is 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide.

What is the SMILES notation for 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide?

The canonical SMILES for 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide is Cn1c(C(=O)NC2CCc3nccn3C2)cc(Cl)c1Cl.

What is the InChIKey of 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide?

The InChIKey is VHNMQGPRPJIQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-18-10(6-9(14)12(18)15)13(20)17-8-2-3-11-16-4-5-19(11)7-8/h4-6,8H,2-3,7H2,1H3,(H,17,20).

What are the key properties of 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide?

4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 86771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).