2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C24H26FN5O — CID 137353066

IUPAC2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CNCC2
InChIInChI=1S/C24H26FN5O/c1-4-14-7-6-8-15(5-2)22(14)30-23(18-12-26-10-9-20(18)29-30)16-11-19(25)24(31-3)21-17(16)13-27-28-21/h6-8,11,13,26H,4-5,9-10,12H2,1-3H3,(H,27,28)
InChIKeyRNZMZJRLDAMBSK-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.33
Rot. Bonds5

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

2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 137353066) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID137353066
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CNCC2
InChIInChI=1S/C24H26FN5O/c1-4-14-7-6-8-15(5-2)22(14)30-23(18-12-26-10-9-20(18)29-30)16-11-19(25)24(31-3)21-17(16)13-27-28-21/h6-8,11,13,26H,4-5,9-10,12H2,1-3H3,(H,27,28)
InChIKeyRNZMZJRLDAMBSK-UHFFFAOYSA-N
XLogP4.33
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 137353066) is 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3[nH]ncc13)CNCC2.
What is the InChIKey of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RNZMZJRLDAMBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-4-14-7-6-8-15(5-2)22(14)30-23(18-12-26-10-9-20(18)29-30)16-11-19(25)24(31-3)21-17(16)13-27-28-21/h6-8,11,13,26H,4-5,9-10,12H2,1-3H3,(H,27,28).
What are the key properties of 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 419.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).