3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C15H15FN4O — CID 146382969

IUPAC3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(F)c(-c2n[nH]c3c2CNCC3)c2cc[nH]c12
InChIInChI=1S/C15H15FN4O/c1-21-12-6-10(16)13(8-2-5-18-14(8)12)15-9-7-17-4-3-11(9)19-20-15/h2,5-6,17-18H,3-4,7H2,1H3,(H,19,20)
InChIKeyVJQYXLXOILJZQY-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.35
Rot. Bonds2

About 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 146382969) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID146382969
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(F)c(-c2n[nH]c3c2CNCC3)c2cc[nH]c12
InChIInChI=1S/C15H15FN4O/c1-21-12-6-10(16)13(8-2-5-18-14(8)12)15-9-7-17-4-3-11(9)19-20-15/h2,5-6,17-18H,3-4,7H2,1H3,(H,19,20)
InChIKeyVJQYXLXOILJZQY-UHFFFAOYSA-N
XLogP2.35
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 146382969) is 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is COc1cc(F)c(-c2n[nH]c3c2CNCC3)c2cc[nH]c12.
What is the InChIKey of 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is VJQYXLXOILJZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-21-12-6-10(16)13(8-2-5-18-14(8)12)15-9-7-17-4-3-11(9)19-20-15/h2,5-6,17-18H,3-4,7H2,1H3,(H,19,20).
What are the key properties of 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 286.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146382969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).