4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C15H12N4O — CID 44625970

IUPAC4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1coc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1
InChIInChI=1S/C15H12N4O/c1-2-12(20-7-1)10-19-9-11(8-18-19)13-3-5-16-15-14(13)4-6-17-15/h1-9H,10H2,(H,16,17)
InChIKeyHYLUMDMBMDXZGW-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.07
Rot. Bonds3

About 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 44625970) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID44625970
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1coc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1
InChIInChI=1S/C15H12N4O/c1-2-12(20-7-1)10-19-9-11(8-18-19)13-3-5-16-15-14(13)4-6-17-15/h1-9H,10H2,(H,16,17)
InChIKeyHYLUMDMBMDXZGW-UHFFFAOYSA-N
XLogP3.07
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 44625970) is 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is c1coc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1.
What is the InChIKey of 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HYLUMDMBMDXZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-12(20-7-1)10-19-9-11(8-18-19)13-3-5-16-15-14(13)4-6-17-15/h1-9H,10H2,(H,16,17).
What are the key properties of 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 264.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 44625970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).