2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

C16H9F4N5 — CID 67085250

IUPAC2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESN#CC1=C(C(F)F)NC(C(F)F)=C(C#N)C1c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H9F4N5/c17-15(18)13-9(4-21)12(10(5-22)14(24-13)16(19)20)7-1-2-11-8(3-7)6-23-25-11/h1-3,6,12,15-16,24H,(H,23,25)
InChIKeyIJMNXEGVGVTCEE-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.34
Rot. Bonds3

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

2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67085250) has the molecular formula C16H9F4N5 and a molecular weight of 347.28 g/mol. Its IUPAC name is 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67085250
Molecular FormulaC16H9F4N5
Molecular Weight347.28 g/mol
Exact Mass347.08
IUPAC Name2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESN#CC1=C(C(F)F)NC(C(F)F)=C(C#N)C1c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H9F4N5/c17-15(18)13-9(4-21)12(10(5-22)14(24-13)16(19)20)7-1-2-11-8(3-7)6-23-25-11/h1-3,6,12,15-16,24H,(H,23,25)
InChIKeyIJMNXEGVGVTCEE-UHFFFAOYSA-N
XLogP3.34
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-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

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67085250) is 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is N#CC1=C(C(F)F)NC(C(F)F)=C(C#N)C1c1ccc2[nH]ncc2c1.
What is the InChIKey of 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is IJMNXEGVGVTCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N5/c17-15(18)13-9(4-21)12(10(5-22)14(24-13)16(19)20)7-1-2-11-8(3-7)6-23-25-11/h1-3,6,12,15-16,24H,(H,23,25).
What are the key properties of 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 347.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).