2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile

C42H35F6N7O3 — CID 175511373

IUPAC2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile
SMILESCC1Cc2c(NC(=O)c3cccnc3C(F)F)cccc2C1(C)C.N#Cc1ccc(Oc2ccc(C(F)(F)C(O)(Cn3cncn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C23H15F4N5O2.C19H20F2N2O/c24-16-3-7-19(20(25)9-16)22(33,12-32-14-29-13-31-32)23(26,27)21-8-6-18(11-30-21)34-17-4-1-15(10-28)2-5-17;1-11-10-13-14(19(11,2)3)7-4-8-15(13)23-18(24)12-6-5-9-22-16(12)17(20)21/h1-9,11,13-14,33H,12H2;4-9,11,17H,10H2,1-3H3,(H,23,24)
InChIKeyHQVXYDAOJHCFIW-UHFFFAOYSA-N
MW799.78 g/mol
LogP9.04
Rot. Bonds10

About 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile

2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile (PubChem CID 175511373) has the molecular formula C42H35F6N7O3 and a molecular weight of 799.78 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile
PubChem CID175511373
Molecular FormulaC42H35F6N7O3
Molecular Weight799.78 g/mol
Exact Mass799.27
IUPAC Name2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile
SMILESCC1Cc2c(NC(=O)c3cccnc3C(F)F)cccc2C1(C)C.N#Cc1ccc(Oc2ccc(C(F)(F)C(O)(Cn3cncn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C23H15F4N5O2.C19H20F2N2O/c24-16-3-7-19(20(25)9-16)22(33,12-32-14-29-13-31-32)23(26,27)21-8-6-18(11-30-21)34-17-4-1-15(10-28)2-5-17;1-11-10-13-14(19(11,2)3)7-4-8-15(13)23-18(24)12-6-5-9-22-16(12)17(20)21/h1-9,11,13-14,33H,12H2;4-9,11,17H,10H2,1-3H3,(H,23,24)
InChIKeyHQVXYDAOJHCFIW-UHFFFAOYSA-N
XLogP9.04
TPSA138.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.78
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile 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-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile (CID 175511373) is 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile is CC1Cc2c(NC(=O)c3cccnc3C(F)F)cccc2C1(C)C.N#Cc1ccc(Oc2ccc(C(F)(F)C(O)(Cn3cncn3)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile?
The InChIKey is HQVXYDAOJHCFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5O2.C19H20F2N2O/c24-16-3-7-19(20(25)9-16)22(33,12-32-14-29-13-31-32)23(26,27)21-8-6-18(11-30-21)34-17-4-1-15(10-28)2-5-17;1-11-10-13-14(19(11,2)3)7-4-8-15(13)23-18(24)12-6-5-9-22-16(12)17(20)21/h1-9,11,13-14,33H,12H2;4-9,11,17H,10H2,1-3H3,(H,23,24).
What are the key properties of 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile?
2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile has a molecular weight of 799.78 g/mol, XLogP of 9.04, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide;4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 175511373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).