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

C20H20BrClN4 — CID 170176434

IUPAC3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cnc(N2CCc3nn(-c4c(C)cccc4C)c(Br)c3C2)c(Cl)c1
InChIInChI=1S/C20H20BrClN4/c1-12-9-16(22)20(23-10-12)25-8-7-17-15(11-25)19(21)26(24-17)18-13(2)5-4-6-14(18)3/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyBUFKWXJNEIHWNE-UHFFFAOYSA-N
MW431.77 g/mol
LogP5.17
Rot. Bonds2

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

3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 170176434) has the molecular formula C20H20BrClN4 and a molecular weight of 431.77 g/mol. Its IUPAC name is 3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID170176434
Molecular FormulaC20H20BrClN4
Molecular Weight431.77 g/mol
Exact Mass430.06
IUPAC Name3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCc1cnc(N2CCc3nn(-c4c(C)cccc4C)c(Br)c3C2)c(Cl)c1
InChIInChI=1S/C20H20BrClN4/c1-12-9-16(22)20(23-10-12)25-8-7-17-15(11-25)19(21)26(24-17)18-13(2)5-4-6-14(18)3/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyBUFKWXJNEIHWNE-UHFFFAOYSA-N
XLogP5.17
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.77
LogP ≤ 55.17
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-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 170176434) is 3-bromo-5-(3-chloro-5-methyl-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-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cc1cnc(N2CCc3nn(-c4c(C)cccc4C)c(Br)c3C2)c(Cl)c1.
What is the InChIKey of 3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is BUFKWXJNEIHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN4/c1-12-9-16(22)20(23-10-12)25-8-7-17-15(11-25)19(21)26(24-17)18-13(2)5-4-6-14(18)3/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of 3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
3-bromo-5-(3-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 431.77 g/mol, XLogP of 5.17, 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-chloro-5-methyl-2-pyridinyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170176434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).