3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C32H32ClFN4 — CID 155266822

IUPAC3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]cc(Cl)c3c1)CN(Cc1cc(F)ccc1C)CC2
InChIInChI=1S/C32H32ClFN4/c1-4-21-7-6-8-22(5-2)31(21)38-32(23-10-12-29-26(16-23)28(33)17-35-29)27-19-37(14-13-30(27)36-38)18-24-15-25(34)11-9-20(24)3/h6-12,15-17,35H,4-5,13-14,18-19H2,1-3H3
InChIKeyKXAOKOJQEFLKND-UHFFFAOYSA-N
MW527.09 g/mol
LogP7.80
Rot. Bonds6

About 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 155266822) has the molecular formula C32H32ClFN4 and a molecular weight of 527.09 g/mol. Its IUPAC name is 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID155266822
Molecular FormulaC32H32ClFN4
Molecular Weight527.09 g/mol
Exact Mass526.23
IUPAC Name3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]cc(Cl)c3c1)CN(Cc1cc(F)ccc1C)CC2
InChIInChI=1S/C32H32ClFN4/c1-4-21-7-6-8-22(5-2)31(21)38-32(23-10-12-29-26(16-23)28(33)17-35-29)27-19-37(14-13-30(27)36-38)18-24-15-25(34)11-9-20(24)3/h6-12,15-17,35H,4-5,13-14,18-19H2,1-3H3
InChIKeyKXAOKOJQEFLKND-UHFFFAOYSA-N
XLogP7.80
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.09
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 155266822) is 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]cc(Cl)c3c1)CN(Cc1cc(F)ccc1C)CC2.
What is the InChIKey of 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is KXAOKOJQEFLKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClFN4/c1-4-21-7-6-8-22(5-2)31(21)38-32(23-10-12-29-26(16-23)28(33)17-35-29)27-19-37(14-13-30(27)36-38)18-24-15-25(34)11-9-20(24)3/h6-12,15-17,35H,4-5,13-14,18-19H2,1-3H3.
What are the key properties of 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 527.09 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-indol-5-yl)-2-(2,6-diethylphenyl)-5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155266822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).