3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H18N4O — CID 142488406

IUPAC3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2c3c(nn2C)CCNC3)c2cc[nH]c12
InChIInChI=1S/C16H18N4O/c1-20-16(12-9-17-7-6-13(12)19-20)11-3-4-14(21-2)15-10(11)5-8-18-15/h3-5,8,17-18H,6-7,9H2,1-2H3
InChIKeyHULJQLCDIYMEGC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.22
Rot. Bonds2

About 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 142488406) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID142488406
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2c3c(nn2C)CCNC3)c2cc[nH]c12
InChIInChI=1S/C16H18N4O/c1-20-16(12-9-17-7-6-13(12)19-20)11-3-4-14(21-2)15-10(11)5-8-18-15/h3-5,8,17-18H,6-7,9H2,1-2H3
InChIKeyHULJQLCDIYMEGC-UHFFFAOYSA-N
XLogP2.22
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 142488406) is 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(-c2c3c(nn2C)CCNC3)c2cc[nH]c12.
What is the InChIKey of 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is HULJQLCDIYMEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-16(12-9-17-7-6-13(12)19-20)11-3-4-14(21-2)15-10(11)5-8-18-15/h3-5,8,17-18H,6-7,9H2,1-2H3.
What are the key properties of 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 282.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 142488406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).