4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C22H15F2N5O — CID 44547996

IUPAC4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(Oc4cc(F)cc(F)c4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C22H15F2N5O/c1-11-18(9-25)21(19(10-26)12(2)27-11)13-3-4-20-17(5-13)22(29-28-20)30-16-7-14(23)6-15(24)8-16/h3-8,21,27H,1-2H3,(H,28,29)
InChIKeyKQDCPXJODXUYBS-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.92
Rot. Bonds3

About 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 44547996) has the molecular formula C22H15F2N5O and a molecular weight of 403.39 g/mol. Its IUPAC name is 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID44547996
Molecular FormulaC22H15F2N5O
Molecular Weight403.39 g/mol
Exact Mass403.12
IUPAC Name4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(Oc4cc(F)cc(F)c4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C22H15F2N5O/c1-11-18(9-25)21(19(10-26)12(2)27-11)13-3-4-20-17(5-13)22(29-28-20)30-16-7-14(23)6-15(24)8-16/h3-8,21,27H,1-2H3,(H,28,29)
InChIKeyKQDCPXJODXUYBS-UHFFFAOYSA-N
XLogP4.92
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218427
5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218423
5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25195330
5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
CID 25218422
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
2,6-dimethyl-4-[3-(2-propan-2-yloxyethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 90972646
5-[[3-(methoxymethyl)-1H-indazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 25218425
4-[6-(trifluoromethoxy)-1H-indazol-3-yl]benzonitrile
CID 137661020
4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 90949339
2,6-bis(difluoromethyl)-4-[3-(2-propan-2-yloxyethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91407921
2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91808180
5-[[3-(methylaminomethyl)-1H-indazol-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 25218424

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 44547996) is 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3[nH]nc(Oc4cc(F)cc(F)c4)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is KQDCPXJODXUYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O/c1-11-18(9-25)21(19(10-26)12(2)27-11)13-3-4-20-17(5-13)22(29-28-20)30-16-7-14(23)6-15(24)8-16/h3-8,21,27H,1-2H3,(H,28,29).
What are the key properties of 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 403.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 44547996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).