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

C23H26N6O — CID 91808180

IUPAC2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)C1C#N
InChIInChI=1S/C23H26N6O/c1-15-19(13-24)22(20(14-25)16(2)26-15)17-6-7-21-18(12-17)23(28-27-21)30-11-10-29-8-4-3-5-9-29/h6-7,12,19,22H,3-5,8-11H2,1-2H3,(H,27,28)
InChIKeyFZVDYIZFWTVBIT-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.92
Rot. Bonds5

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

2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 91808180) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID91808180
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)C1C#N
InChIInChI=1S/C23H26N6O/c1-15-19(13-24)22(20(14-25)16(2)26-15)17-6-7-21-18(12-17)23(28-27-21)30-11-10-29-8-4-3-5-9-29/h6-7,12,19,22H,3-5,8-11H2,1-2H3,(H,27,28)
InChIKeyFZVDYIZFWTVBIT-UHFFFAOYSA-N
XLogP3.92
TPSA101.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-4-(9-ethyl-9H-carbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961901
2,6-dimethyl-4-[3-(2-propan-2-yloxyethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 90972646
1-Propanamine, 3-(1H-indazol-3-yloxy)-N,N-dimethyl-
CID 10220074
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
1H-Indazole, 3-(2-(4-morpholinyl)ethoxy)-, hydrobromide
CID 215736
6-Amino-4-[2,4-dimethyl-5-(4-morpholinylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2971723
6-Amino-4-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5174730
6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 3805517
3-(4-fluorophenyl)-6-imino-4-(4-morpholin-4-ylphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 145923610
3-(beta-morpholinoethoxy)-1H-indazole
CID 215737
4-[3-(3,5-difluorophenoxy)-1H-indazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 44547996

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile (CID 91808180) is 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)C1C#N.
What is the InChIKey of 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is FZVDYIZFWTVBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-15-19(13-24)22(20(14-25)16(2)26-15)17-6-7-21-18(12-17)23(28-27-21)30-11-10-29-8-4-3-5-9-29/h6-7,12,19,22H,3-5,8-11H2,1-2H3,(H,27,28).
What are the key properties of 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 402.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(2-piperidin-1-ylethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 91808180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).