4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide

C24H18F4N6O3 — CID 172605988

IUPAC4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cn[nH]c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F
InChIInChI=1S/C24H18F4N6O3/c1-34-21(19-13(8-29)3-11(4-15(19)33-34)14-9-30-31-10-14)12-5-16(36-2)20(17(6-12)37-23(25)26)22(35)32-18-7-24(18,27)28/h3-6,9-10,18,23H,7H2,1-2H3,(H,30,31)(H,32,35)/t18-/m1/s1
InChIKeyFJSPLAWERLZEMY-GOSISDBHSA-N
MW514.44 g/mol
LogP4.25
Rot. Bonds7

About 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide

4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 172605988) has the molecular formula C24H18F4N6O3 and a molecular weight of 514.44 g/mol. Its IUPAC name is 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID172605988
Molecular FormulaC24H18F4N6O3
Molecular Weight514.44 g/mol
Exact Mass514.14
IUPAC Name4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cn[nH]c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F
InChIInChI=1S/C24H18F4N6O3/c1-34-21(19-13(8-29)3-11(4-15(19)33-34)14-9-30-31-10-14)12-5-16(36-2)20(17(6-12)37-23(25)26)22(35)32-18-7-24(18,27)28/h3-6,9-10,18,23H,7H2,1-2H3,(H,30,31)(H,32,35)/t18-/m1/s1
InChIKeyFJSPLAWERLZEMY-GOSISDBHSA-N
XLogP4.25
TPSA117.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide with MolForge

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Related Compounds

4-[4-cyano-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
CID 172605959
4-[4-cyano-2-methyl-6-[1-(oxetan-2-ylmethyl)pyrazol-4-yl]indazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
CID 172606104
4-[4-cyano-6-[1-[(1,1-dioxothietan-2-yl)methyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
CID 172606192
[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone
CID 172606121
3-[(4R)-8-(difluoromethoxy)-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-methylpyrazol-4-yl)indazole-4-carbonitrile
CID 172606090
4-(6-bromo-2-methyl-4-phenylmethoxyindazol-3-yl)-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
CID 172606189
3-[(4R)-8-methoxy-4-methyl-1-oxo-3,4-dihydro-2H-isoquinolin-6-yl]-2-methyl-6-(1-propylpyrazol-4-yl)indazole-4-carbonitrile
CID 172606054
2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide
CID 172606217
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273517
N-cyclopropyl-2-(difluoromethoxy)-4-[(4R)-4-fluoro-7,10-diazatricyclo[5.3.0.02,4]deca-1(10),5,8-trien-8-yl]-6-methoxybenzamide
CID 162614224
4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-(difluoromethoxy)-N-(2-fluorocyclopropyl)-6-methoxybenzamide;formonitrile
CID 155727298
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155349441

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide (CID 172605988) is 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2c3c(C#N)cc(-c4cn[nH]c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F.
What is the InChIKey of 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is FJSPLAWERLZEMY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H18F4N6O3/c1-34-21(19-13(8-29)3-11(4-15(19)33-34)14-9-30-31-10-14)12-5-16(36-2)20(17(6-12)37-23(25)26)22(35)32-18-7-24(18,27)28/h3-6,9-10,18,23H,7H2,1-2H3,(H,30,31)(H,32,35)/t18-/m1/s1.
What are the key properties of 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 514.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 172605988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).