4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide

C24H18F4N6O2 — CID 172605949

IUPAC4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide
SMILESCn1cc(-c2cc(C#N)c3c(-c4ccc(C(=O)N[C@@H]5CC5(F)F)c(OC(F)F)c4)n(C)nc3c2)cn1
InChIInChI=1S/C24H18F4N6O2/c1-33-11-15(10-30-33)13-5-14(9-29)20-17(6-13)32-34(2)21(20)12-3-4-16(18(7-12)36-23(25)26)22(35)31-19-8-24(19,27)28/h3-7,10-11,19,23H,8H2,1-2H3,(H,31,35)/t19-/m1/s1
InChIKeyWIUMTNYTHUTUNH-LJQANCHMSA-N
MW498.44 g/mol
LogP4.25
Rot. Bonds6

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

4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide (PubChem CID 172605949) has the molecular formula C24H18F4N6O2 and a molecular weight of 498.44 g/mol. Its IUPAC name is 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide
PubChem CID172605949
Molecular FormulaC24H18F4N6O2
Molecular Weight498.44 g/mol
Exact Mass498.14
IUPAC Name4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide
SMILESCn1cc(-c2cc(C#N)c3c(-c4ccc(C(=O)N[C@@H]5CC5(F)F)c(OC(F)F)c4)n(C)nc3c2)cn1
InChIInChI=1S/C24H18F4N6O2/c1-33-11-15(10-30-33)13-5-14(9-29)20-17(6-13)32-34(2)21(20)12-3-4-16(18(7-12)36-23(25)26)22(35)31-19-8-24(19,27)28/h3-7,10-11,19,23H,8H2,1-2H3,(H,31,35)/t19-/m1/s1
InChIKeyWIUMTNYTHUTUNH-LJQANCHMSA-N
XLogP4.25
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Arry-371797
CID 46883775
N-(1H-indazol-4-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663022
US11427558, Example 189
CID 165436886
US11427558, Example 201
CID 165436896
Emprumapimod
CID 67411502
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[3-(methylamino)propoxy]phenyl]indazole-4-carboxamide
CID 77464573
1-cyclopentyl-6-[3-[3-(dimethylamino)propoxy]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77465666
US20260062387, Example 162
CID 172605927
US20260062387, Example 111
CID 172605928
US20260062387, Example 113
CID 172605929
US20260062387, Example 73
CID 172605932
US20260062387, Example 117
CID 172605933

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide (CID 172605949) is 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide is Cn1cc(-c2cc(C#N)c3c(-c4ccc(C(=O)N[C@@H]5CC5(F)F)c(OC(F)F)c4)n(C)nc3c2)cn1.
What is the InChIKey of 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide?
The InChIKey is WIUMTNYTHUTUNH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H18F4N6O2/c1-33-11-15(10-30-33)13-5-14(9-29)20-17(6-13)32-34(2)21(20)12-3-4-16(18(7-12)36-23(25)26)22(35)31-19-8-24(19,27)28/h3-7,10-11,19,23H,8H2,1-2H3,(H,31,35)/t19-/m1/s1.
What are the key properties of 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide?
4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide has a molecular weight of 498.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-2-methyl-6-(1-methylpyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 172605949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).