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3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole

C29H26N6O2 — CID 154514473

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)co1
InChIInChI=1S/C29H26N6O2/c1-2-7-35(6-1)8-10-37-22-11-21(14-30-15-22)19-3-4-26-24(12-19)29(34-33-26)27-13-23-25(20-5-9-36-18-20)16-31-17-28(23)32-27/h3-5,9,11-18,32H,1-2,6-8,10H2,(H,33,34)
InChIKeyFCEJLJZUDDWYQC-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.90
Rot. Bonds7

About 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole

3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole (PubChem CID 154514473) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
PubChem CID154514473
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole
SMILESc1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)co1
InChIInChI=1S/C29H26N6O2/c1-2-7-35(6-1)8-10-37-22-11-21(14-30-15-22)19-3-4-26-24(12-19)29(34-33-26)27-13-23-25(20-5-9-36-18-20)16-31-17-28(23)32-27/h3-5,9,11-18,32H,1-2,6-8,10H2,(H,33,34)
InChIKeyFCEJLJZUDDWYQC-UHFFFAOYSA-N
XLogP5.90
TPSA95.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?
The IUPAC name of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole (CID 154514473) is 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole is c1cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)cc23)co1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?
The InChIKey is FCEJLJZUDDWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-2-7-35(6-1)8-10-37-22-11-21(14-30-15-22)19-3-4-26-24(12-19)29(34-33-26)27-13-23-25(20-5-9-36-18-20)16-31-17-28(23)32-27/h3-5,9,11-18,32H,1-2,6-8,10H2,(H,33,34).
What are the key properties of 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole?
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole has a molecular weight of 490.57 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 154514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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