N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C21H17F2N5O2 — CID 121411995

About N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 121411995) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 121411995
• Molecular Formula: C21H17F2N5O2
• Molecular Weight: 409.40 g/mol
• Exact Mass: 409.14
• IUPAC Name: N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: COc1ccnc2c(-c3cccc(C(F)F)n3)c(-c3ccnc(NC(C)=O)c3)[nH]c12
• InChI: InChI=1S/C21H17F2N5O2/c1-11(29)26-16-10-12(6-8-24-16)18-17(13-4-3-5-14(27-13)21(22)23)20-19(28-18)15(30-2)7-9-25-20/h3-10,21,28H,1-2H3,(H,24,26,29)
• InChIKey: FBVILXRXYKTIRT-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.40
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 121411995) is N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COc1ccnc2c(-c3cccc(C(F)F)n3)c(-c3ccnc(NC(C)=O)c3)[nH]c12.

What is the InChIKey of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is FBVILXRXYKTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-11(29)26-16-10-12(6-8-24-16)18-17(13-4-3-5-14(27-13)21(22)23)20-19(28-18)15(30-2)7-9-25-20/h3-10,21,28H,1-2H3,(H,24,26,29).

What are the key properties of N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 409.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[6-(difluoromethyl)-2-pyridinyl]-7-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121411995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).