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

C27H27N7 — CID 24961305

IUPAC2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C27H27N7/c1-17-23(15-28)26(24(16-29)18(2)30-17)20-6-9-25-22(14-20)27(32-31-25)19-4-7-21(8-5-19)34-12-10-33(3)11-13-34/h4-9,14,26,30H,10-13H2,1-3H3,(H,31,32)
InChIKeyIAMYDTHTULOQPY-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.26
Rot. Bonds3

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

2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 24961305) has the molecular formula C27H27N7 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID24961305
Molecular FormulaC27H27N7
Molecular Weight449.56 g/mol
Exact Mass449.23
IUPAC Name2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C27H27N7/c1-17-23(15-28)26(24(16-29)18(2)30-17)20-6-9-25-22(14-20)27(32-31-25)19-4-7-21(8-5-19)34-12-10-33(3)11-13-34/h4-9,14,26,30H,10-13H2,1-3H3,(H,31,32)
InChIKeyIAMYDTHTULOQPY-UHFFFAOYSA-N
XLogP4.26
TPSA94.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 141206258
2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957252
2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957255
2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91513057
tert-butyl 4-[4-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]phenyl]piperazine-1-carboxylate
CID 91128226
2-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]benzonitrile
CID 134327531
2,6-dimethyl-4-[3-(pyridin-3-ylmethylideneamino)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 69269015
2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957253
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928
3-[4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 167062343
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
azane;5-[3-fluoro-5-(1-methylcyclopropyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 175348002

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile (CID 24961305) is 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)cc4)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is IAMYDTHTULOQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7/c1-17-23(15-28)26(24(16-29)18(2)30-17)20-6-9-25-22(14-20)27(32-31-25)19-4-7-21(8-5-19)34-12-10-33(3)11-13-34/h4-9,14,26,30H,10-13H2,1-3H3,(H,31,32).
What are the key properties of 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 449.56 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24961305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).