4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide

C20H20ClN5O — CID 71190115

About 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 71190115) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide
• PubChem CID: 71190115
• Molecular Formula: C20H20ClN5O
• Molecular Weight: 381.87 g/mol
• Exact Mass: 381.14
• IUPAC Name: 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide
• SMILES: CCN(Cc1ccccn1)C(=O)c1cc(-c2c(Cl)cnc3c2CCN3)c[nH]1
• InChI: InChI=1S/C20H20ClN5O/c1-2-26(12-14-5-3-4-7-22-14)20(27)17-9-13(10-24-17)18-15-6-8-23-19(15)25-11-16(18)21/h3-5,7,9-11,24H,2,6,8,12H2,1H3,(H,23,25)
• InChIKey: HWGGEFURIAHHHQ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.87
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 71190115) is 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCN(Cc1ccccn1)C(=O)c1cc(-c2c(Cl)cnc3c2CCN3)c[nH]1.

What is the InChIKey of 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide?

The InChIKey is HWGGEFURIAHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-2-26(12-14-5-3-4-7-22-14)20(27)17-9-13(10-24-17)18-15-6-8-23-19(15)25-11-16(18)21/h3-5,7,9-11,24H,2,6,8,12H2,1H3,(H,23,25).

What are the key properties of 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide?

4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-ethyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71190115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).