2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile

C23H17F2N5O — CID 123362066

IUPAC2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccc(C2=C(C#N)C(c3ccc4n[nH]c(C)c4c3)C(C#N)C(C(F)F)=N2)cc1
InChIInChI=1S/C23H17F2N5O/c1-12-16-9-14(5-8-19(16)30-29-12)20-17(10-26)21(13-3-6-15(31-2)7-4-13)28-22(23(24)25)18(20)11-27/h3-9,18,20,23H,1-2H3,(H,29,30)
InChIKeyGUUSJUNUMOYCOV-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.76
Rot. Bonds4

About 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile

2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 123362066) has the molecular formula C23H17F2N5O and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID123362066
Molecular FormulaC23H17F2N5O
Molecular Weight417.42 g/mol
Exact Mass417.14
IUPAC Name2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccc(C2=C(C#N)C(c3ccc4n[nH]c(C)c4c3)C(C#N)C(C(F)F)=N2)cc1
InChIInChI=1S/C23H17F2N5O/c1-12-16-9-14(5-8-19(16)30-29-12)20-17(10-26)21(13-3-6-15(31-2)7-4-13)28-22(23(24)25)18(20)11-27/h3-9,18,20,23H,1-2H3,(H,29,30)
InChIKeyGUUSJUNUMOYCOV-UHFFFAOYSA-N
XLogP4.76
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile (CID 123362066) is 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile is COc1ccc(C2=C(C#N)C(c3ccc4n[nH]c(C)c4c3)C(C#N)C(C(F)F)=N2)cc1.
What is the InChIKey of 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is GUUSJUNUMOYCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O/c1-12-16-9-14(5-8-19(16)30-29-12)20-17(10-26)21(13-3-6-15(31-2)7-4-13)28-22(23(24)25)18(20)11-27/h3-9,18,20,23H,1-2H3,(H,29,30).
What are the key properties of 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile?
2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 417.42 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(4-methoxyphenyl)-4-(3-methyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 123362066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).