N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

C30H21N7O2 — CID 137040784

About N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 137040784) has the molecular formula C30H21N7O2 and a molecular weight of 511.55 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 137040784
• Molecular Formula: C30H21N7O2
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.18
• IUPAC Name: N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C30H21N7O2/c38-28(8-18-4-2-1-3-5-18)34-22-9-20(12-31-14-22)21-10-24-29(36-37-30(24)33-13-21)26-11-23-25(19-6-7-39-17-19)15-32-16-27(23)35-26/h1-7,9-17,35H,8H2,(H,34,38)(H,33,36,37)
• InChIKey: BKEWOWCBWGEFOT-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 125.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 137040784) is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is BKEWOWCBWGEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N7O2/c38-28(8-18-4-2-1-3-5-18)34-22-9-20(12-31-14-22)21-10-24-29(36-37-30(24)33-13-21)26-11-23-25(19-6-7-39-17-19)15-32-16-27(23)35-26/h1-7,9-17,35H,8H2,(H,34,38)(H,33,36,37).

What are the key properties of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 511.55 g/mol, XLogP of 6.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 137040784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).