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

C26H26N8 — CID 91513057

IUPAC2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3c2)C1C#N
InChIInChI=1S/C26H26N8/c1-16-21(13-27)25(22(14-28)17(2)30-16)18-4-6-23-20(12-18)26(32-31-23)19-5-7-24(29-15-19)34-10-8-33(3)9-11-34/h4-7,12,15,21,25H,8-11H2,1-3H3,(H,31,32)
InChIKeyYESKUALITRJXIT-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.87
Rot. Bonds3

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

2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 91513057) has the molecular formula C26H26N8 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID91513057
Molecular FormulaC26H26N8
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3c2)C1C#N
InChIInChI=1S/C26H26N8/c1-16-21(13-27)25(22(14-28)17(2)30-16)18-4-6-23-20(12-18)26(32-31-23)19-5-7-24(29-15-19)34-10-8-33(3)9-11-34/h4-7,12,15,21,25H,8-11H2,1-3H3,(H,31,32)
InChIKeyYESKUALITRJXIT-UHFFFAOYSA-N
XLogP3.87
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile (CID 91513057) is 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(c2ccc3[nH]nc(-c4ccc(N5CCN(C)CC5)nc4)c3c2)C1C#N.
What is the InChIKey of 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is YESKUALITRJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8/c1-16-21(13-27)25(22(14-28)17(2)30-16)18-4-6-23-20(12-18)26(32-31-23)19-5-7-24(29-15-19)34-10-8-33(3)9-11-34/h4-7,12,15,21,25H,8-11H2,1-3H3,(H,31,32).
What are the key properties of 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 450.55 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 91513057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).