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

C29H26Cl2FN5 — CID 142488611

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C29H26Cl2FN5/c1-3-17-6-5-7-18(4-2)27(17)37-28(21-8-9-24(32)26-20(21)10-12-33-26)22-16-36(13-11-25(22)35-37)29-23(31)14-19(30)15-34-29/h5-10,12,14-15,33H,3-4,11,13,16H2,1-2H3
InChIKeyCVVXBBMGFJEXLR-UHFFFAOYSA-N
MW534.47 g/mol
LogP7.55
Rot. Bonds5

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

5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 142488611) has the molecular formula C29H26Cl2FN5 and a molecular weight of 534.47 g/mol. Its IUPAC name is 5-(3,5-dichloro-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-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID142488611
Molecular FormulaC29H26Cl2FN5
Molecular Weight534.47 g/mol
Exact Mass533.15
IUPAC Name5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C29H26Cl2FN5/c1-3-17-6-5-7-18(4-2)27(17)37-28(21-8-9-24(32)26-20(21)10-12-33-26)22-16-36(13-11-25(22)35-37)29-23(31)14-19(30)15-34-29/h5-10,12,14-15,33H,3-4,11,13,16H2,1-2H3
InChIKeyCVVXBBMGFJEXLR-UHFFFAOYSA-N
XLogP7.55
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.47
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dichloro-2-pyridinyl)-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-(3,5-dichloro-2-pyridinyl)-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-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 142488611) is 5-(3,5-dichloro-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-(3,5-dichloro-2-pyridinyl)-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-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1Cl)CC2.
What is the InChIKey of 5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is CVVXBBMGFJEXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2FN5/c1-3-17-6-5-7-18(4-2)27(17)37-28(21-8-9-24(32)26-20(21)10-12-33-26)22-16-36(13-11-25(22)35-37)29-23(31)14-19(30)15-34-29/h5-10,12,14-15,33H,3-4,11,13,16H2,1-2H3.
What are the key properties of 5-(3,5-dichloro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(3,5-dichloro-2-pyridinyl)-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 534.47 g/mol, XLogP of 7.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-pyridinyl)-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 142488611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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