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

C30H26ClF4N5 — CID 137353299

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCC1=C(C(=CC=C1)CC)N2C(=C3CN(CCC3=N2)C4=C(C=C(C=N4)C(F)(F)F)Cl)C5=C6C=CNC6=C(C=C5)F
InChIInChI=1S/C30H26ClF4N5/c1-3-17-6-5-7-18(4-2)27(17)40-28(21-8-9-24(32)26-20(21)10-12-36-26)22-16-39(13-11-25(22)38-40)29-23(31)14-19(15-37-29)30(33,34)35/h5-10,12,14-15,36H,3-4,11,13,16H2,1-2H3
InChIKeyXKFIWSMUMBOQHV-UHFFFAOYSA-N
MW568.00 g/mol
LogP7.80
Rot. Bonds5

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

5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353299) has the molecular formula C30H26ClF4N5 and a molecular weight of 568.00 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353299
Molecular FormulaC30H26ClF4N5
Molecular Weight568.00 g/mol
Exact Mass567.18
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCC1=C(C(=CC=C1)CC)N2C(=C3CN(CCC3=N2)C4=C(C=C(C=N4)C(F)(F)F)Cl)C5=C6C=CNC6=C(C=C5)F
InChIInChI=1S/C30H26ClF4N5/c1-3-17-6-5-7-18(4-2)27(17)40-28(21-8-9-24(32)26-20(21)10-12-36-26)22-16-39(13-11-25(22)38-40)29-23(31)14-19(15-37-29)30(33,34)35/h5-10,12,14-15,36H,3-4,11,13,16H2,1-2H3
InChIKeyXKFIWSMUMBOQHV-UHFFFAOYSA-N
XLogP7.80
TPSA49.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity852

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.00
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353299) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCC1=C(C(=CC=C1)CC)N2C(=C3CN(CCC3=N2)C4=C(C=C(C=N4)C(F)(F)F)Cl)C5=C6C=CNC6=C(C=C5)F.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is XKFIWSMUMBOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClF4N5/c1-3-17-6-5-7-18(4-2)27(17)40-28(21-8-9-24(32)26-20(21)10-12-36-26)22-16-39(13-11-25(22)38-40)29-23(31)14-19(15-37-29)30(33,34)35/h5-10,12,14-15,36H,3-4,11,13,16H2,1-2H3.
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 568.00 g/mol, XLogP of 7.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).