4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide

C27H25F3N6O3 — CID 172605938

IUPAC4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cnn(C(C)C)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C27H25F3N6O3/c1-13(2)36-12-17(11-32-36)14-5-16(10-31)23-20(6-14)34-35(3)25(23)15-7-21(38-4)24(22(8-15)39-27(29)30)26(37)33-19-9-18(19)28/h5-8,11-13,18-19,27H,9H2,1-4H3,(H,33,37)/t18-,19+/m0/s1
InChIKeyLZJHCEARVUZVNY-RBUKOAKNSA-N
MW538.53 g/mol
LogP5.01
Rot. Bonds8

About 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide

4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide (PubChem CID 172605938) has the molecular formula C27H25F3N6O3 and a molecular weight of 538.53 g/mol. Its IUPAC name is 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide.

Molecular Properties

Compound Name4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
PubChem CID172605938
Molecular FormulaC27H25F3N6O3
Molecular Weight538.53 g/mol
Exact Mass538.19
IUPAC Name4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cnn(C(C)C)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C27H25F3N6O3/c1-13(2)36-12-17(11-32-36)14-5-16(10-31)23-20(6-14)34-35(3)25(23)15-7-21(38-4)24(22(8-15)39-27(29)30)26(37)33-19-9-18(19)28/h5-8,11-13,18-19,27H,9H2,1-4H3,(H,33,37)/t18-,19+/m0/s1
InChIKeyLZJHCEARVUZVNY-RBUKOAKNSA-N
XLogP5.01
TPSA106.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide with MolForge

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Related Compounds

US20260062387, Comparative Example 5
CID 155727246
US11427558, Example 201
CID 165436896
US20260062387, Example 66
CID 172605926
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
US20260062387, Example 119
CID 172605934
US20260062387, Example 12
CID 172605935
US20260062387, Example 58
CID 172605937
US20260062387, Example 172
CID 172605943

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The IUPAC name of 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide (CID 172605938) is 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide.
What is the SMILES notation for 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The canonical SMILES for 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide is COc1cc(-c2c3c(C#N)cc(-c4cnn(C(C)C)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1C[C@@H]1F.
What is the InChIKey of 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
The InChIKey is LZJHCEARVUZVNY-RBUKOAKNSA-N. The full InChI is InChI=1S/C27H25F3N6O3/c1-13(2)36-12-17(11-32-36)14-5-16(10-31)23-20(6-14)34-35(3)25(23)15-7-21(38-4)24(22(8-15)39-27(29)30)26(37)33-19-9-18(19)28/h5-8,11-13,18-19,27H,9H2,1-4H3,(H,33,37)/t18-,19+/m0/s1.
What are the key properties of 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide?
4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide has a molecular weight of 538.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-2-methyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-3-yl]-2-(difluoromethoxy)-N-[(1R,2S)-2-fluorocyclopropyl]-6-methoxybenzamide is sourced from PubChem (CID 172605938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).