2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C24H25FN4O — CID 146382967

IUPAC2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOCc1cc(F)c(-c2c3c(nn2-c2c(C)cccc2C)CCNC3)c2cc[nH]c12
InChIInChI=1S/C24H25FN4O/c1-14-5-4-6-15(2)23(14)29-24(18-12-26-9-8-20(18)28-29)21-17-7-10-27-22(17)16(13-30-3)11-19(21)25/h4-7,10-11,26-27H,8-9,12-13H2,1-3H3
InChIKeyDGHVWRZVNWGFBH-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.57
Rot. Bonds4

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

2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 146382967) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID146382967
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOCc1cc(F)c(-c2c3c(nn2-c2c(C)cccc2C)CCNC3)c2cc[nH]c12
InChIInChI=1S/C24H25FN4O/c1-14-5-4-6-15(2)23(14)29-24(18-12-26-9-8-20(18)28-29)21-17-7-10-27-22(17)16(13-30-3)11-19(21)25/h4-7,10-11,26-27H,8-9,12-13H2,1-3H3
InChIKeyDGHVWRZVNWGFBH-UHFFFAOYSA-N
XLogP4.57
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 146382967) is 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is COCc1cc(F)c(-c2c3c(nn2-c2c(C)cccc2C)CCNC3)c2cc[nH]c12.
What is the InChIKey of 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is DGHVWRZVNWGFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-14-5-4-6-15(2)23(14)29-24(18-12-26-9-8-20(18)28-29)21-17-7-10-27-22(17)16(13-30-3)11-19(21)25/h4-7,10-11,26-27H,8-9,12-13H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 404.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-3-[5-fluoro-7-(methoxymethyl)-1H-indol-4-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 146382967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).