3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine

C16H18N4O — CID 155563825

IUPAC3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCCCCc1[nH]nc2ccnc(-c3cncc(OC)c3)c12
InChIInChI=1S/C16H18N4O/c1-3-4-5-13-15-14(20-19-13)6-7-18-16(15)11-8-12(21-2)10-17-9-11/h6-10H,3-5H2,1-2H3,(H,19,20)
InChIKeyTUWVLGXCZKCDJD-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.37
Rot. Bonds5

About 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine

3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 155563825) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID155563825
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCCCCc1[nH]nc2ccnc(-c3cncc(OC)c3)c12
InChIInChI=1S/C16H18N4O/c1-3-4-5-13-15-14(20-19-13)6-7-18-16(15)11-8-12(21-2)10-17-9-11/h6-10H,3-5H2,1-2H3,(H,19,20)
InChIKeyTUWVLGXCZKCDJD-UHFFFAOYSA-N
XLogP3.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine (CID 155563825) is 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine is CCCCc1[nH]nc2ccnc(-c3cncc(OC)c3)c12.
What is the InChIKey of 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is TUWVLGXCZKCDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-4-5-13-15-14(20-19-13)6-7-18-16(15)11-8-12(21-2)10-17-9-11/h6-10H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine?
3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 282.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(5-methoxy-3-pyridinyl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155563825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).