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

C17H15N5O — CID 90949339

IUPAC4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C17H15N5O/c1-9-13(7-18)16(14(8-19)10(2)20-9)11-4-5-15-12(6-11)17(23-3)22-21-15/h4-6,13,16H,1-3H3,(H,21,22)
InChIKeyJAYSTNFISLCRKF-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.07
Rot. Bonds2

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

4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 90949339) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID90949339
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12
InChIInChI=1S/C17H15N5O/c1-9-13(7-18)16(14(8-19)10(2)20-9)11-4-5-15-12(6-11)17(23-3)22-21-15/h4-6,13,16H,1-3H3,(H,21,22)
InChIKeyJAYSTNFISLCRKF-UHFFFAOYSA-N
XLogP3.07
TPSA97.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(naphthalen-1-ylmethoxy)-1H-indazole
CID 154487473
2,6-dimethyl-4-[3-(2-propan-2-yloxyethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 90972646
6-Amino-4-benzyl-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 644636
6-Amino-4-(2-methylpropyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2881667
6-Amino-4-benzyl-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961878
6-Amino-3-methyl-4-(1-phenylethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3130944
3-(naphthalen-2-ylmethoxy)-1H-indazole
CID 152763229
2,6-bis(difluoromethyl)-4-[3-(2-propan-2-yloxyethoxy)-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91407921

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 90949339) is 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is COc1n[nH]c2ccc(C3C(C#N)=C(C)N=C(C)C3C#N)cc12.
What is the InChIKey of 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is JAYSTNFISLCRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-9-13(7-18)16(14(8-19)10(2)20-9)11-4-5-15-12(6-11)17(23-3)22-21-15/h4-6,13,16H,1-3H3,(H,21,22).
What are the key properties of 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 90949339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).