4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine

C18H21N5O — CID 56943105

IUPAC4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
SMILESCn1cc(/C=C/c2[nH]nc3ccnc(OC4CCCCC4)c23)cn1
InChIInChI=1S/C18H21N5O/c1-23-12-13(11-20-23)7-8-15-17-16(22-21-15)9-10-19-18(17)24-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,22)/b8-7+
InChIKeyFQAUEIZZMKBKKP-BQYQJAHWSA-N
MW323.40 g/mol
LogP3.57
Rot. Bonds4

About 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine

4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine (PubChem CID 56943105) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
PubChem CID56943105
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine
SMILESCn1cc(/C=C/c2[nH]nc3ccnc(OC4CCCCC4)c23)cn1
InChIInChI=1S/C18H21N5O/c1-23-12-13(11-20-23)7-8-15-17-16(22-21-15)9-10-19-18(17)24-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,22)/b8-7+
InChIKeyFQAUEIZZMKBKKP-BQYQJAHWSA-N
XLogP3.57
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine (CID 56943105) is 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine is Cn1cc(/C=C/c2[nH]nc3ccnc(OC4CCCCC4)c23)cn1.
What is the InChIKey of 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is FQAUEIZZMKBKKP-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23-12-13(11-20-23)7-8-15-17-16(22-21-15)9-10-19-18(17)24-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,22)/b8-7+.
What are the key properties of 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine?
4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 56943105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).