N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C22H20ClN5O2 — CID 121412018

About N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121412018) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121412018
• Molecular Formula: C22H20ClN5O2
• Molecular Weight: 421.89 g/mol
• Exact Mass: 421.13
• IUPAC Name: N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2cccc(OC(C)C)n2)ccn1
• InChI: InChI=1S/C22H20ClN5O2/c1-12(2)30-19-6-4-5-16(27-19)20-21(28-17-10-15(23)11-25-22(17)20)14-7-8-24-18(9-14)26-13(3)29/h4-12,28H,1-3H3,(H,24,26,29)
• InChIKey: GFXGPKBSIHYSHS-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.89
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121412018) is N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2[nH]c3cc(Cl)cnc3c2-c2cccc(OC(C)C)n2)ccn1.

What is the InChIKey of N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is GFXGPKBSIHYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-12(2)30-19-6-4-5-16(27-19)20-21(28-17-10-15(23)11-25-22(17)20)14-7-8-24-18(9-14)26-13(3)29/h4-12,28H,1-3H3,(H,24,26,29).

What are the key properties of N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 421.89 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-chloro-3-(6-propan-2-yloxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121412018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).