3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C19H17BrCl2N4 — CID 137353293

IUPAC3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(C)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C19H17BrCl2N4/c1-11-4-3-5-12(2)17(11)26-18(20)14-10-25(7-6-16(14)24-26)19-15(22)8-13(21)9-23-19/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyJJTJCFOOJGQYDX-UHFFFAOYSA-N
MW452.18 g/mol
LogP5.52
Rot. Bonds2

About 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353293) has the molecular formula C19H17BrCl2N4 and a molecular weight of 452.18 g/mol. Its IUPAC name is 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID137353293
Molecular FormulaC19H17BrCl2N4
Molecular Weight452.18 g/mol
Exact Mass450.00
IUPAC Name3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cccc(C)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2
InChIInChI=1S/C19H17BrCl2N4/c1-11-4-3-5-12(2)17(11)26-18(20)14-10-25(7-6-16(14)24-26)19-15(22)8-13(21)9-23-19/h3-5,8-9H,6-7,10H2,1-2H3
InChIKeyJJTJCFOOJGQYDX-UHFFFAOYSA-N
XLogP5.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.18
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353293) is 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cccc(C)c1-n1nc2c(c1Br)CN(c1ncc(Cl)cc1Cl)CC2.
What is the InChIKey of 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is JJTJCFOOJGQYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N4/c1-11-4-3-5-12(2)17(11)26-18(20)14-10-25(7-6-16(14)24-26)19-15(22)8-13(21)9-23-19/h3-5,8-9H,6-7,10H2,1-2H3.
What are the key properties of 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 452.18 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3,5-dichloro-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).