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

C26H22Cl2F2N4O — CID 139296284

IUPAC5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(F)c(-c2c3c(nn2-c2c(C)cccc2C)CCN(c2ncc(Cl)cc2Cl)C3)cc1F
InChIInChI=1S/C26H22Cl2F2N4O/c1-14-5-4-6-15(2)24(14)34-25(17-10-21(30)23(35-3)11-20(17)29)18-13-33(8-7-22(18)32-34)26-19(28)9-16(27)12-31-26/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyXVJPMZKIHGIEHO-UHFFFAOYSA-N
MW515.39 g/mol
LogP6.71
Rot. Bonds4

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

5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 139296284) has the molecular formula C26H22Cl2F2N4O and a molecular weight of 515.39 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID139296284
Molecular FormulaC26H22Cl2F2N4O
Molecular Weight515.39 g/mol
Exact Mass514.11
IUPAC Name5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(F)c(-c2c3c(nn2-c2c(C)cccc2C)CCN(c2ncc(Cl)cc2Cl)C3)cc1F
InChIInChI=1S/C26H22Cl2F2N4O/c1-14-5-4-6-15(2)24(14)34-25(17-10-21(30)23(35-3)11-20(17)29)18-13-33(8-7-22(18)32-34)26-19(28)9-16(27)12-31-26/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyXVJPMZKIHGIEHO-UHFFFAOYSA-N
XLogP6.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.39
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-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)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 139296284) is 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1cc(F)c(-c2c3c(nn2-c2c(C)cccc2C)CCN(c2ncc(Cl)cc2Cl)C3)cc1F.
What is the InChIKey of 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is XVJPMZKIHGIEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F2N4O/c1-14-5-4-6-15(2)24(14)34-25(17-10-21(30)23(35-3)11-20(17)29)18-13-33(8-7-22(18)32-34)26-19(28)9-16(27)12-31-26/h4-6,9-12H,7-8,13H2,1-3H3.
What are the key properties of 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 515.39 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-pyridinyl)-3-(2,5-difluoro-4-methoxyphenyl)-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 139296284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).