4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide

C28H27F3N6O4 — CID 172605937

IUPAC4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cnn(C[C@H](C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)NCC1(F)CC1
InChIInChI=1S/C28H27F3N6O4/c1-15(38)12-37-13-19(11-34-37)16-6-18(10-32)23-20(7-16)35-36(2)25(23)17-8-21(40-3)24(22(9-17)41-27(29)30)26(39)33-14-28(31)4-5-28/h6-9,11,13,15,27,38H,4-5,12,14H2,1-3H3,(H,33,39)/t15-/m0/s1
InChIKeyATLGPKPCTSECNG-HNNXBMFYSA-N
MW568.56 g/mol
LogP4.20
Rot. Bonds10

About 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide

4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide (PubChem CID 172605937) has the molecular formula C28H27F3N6O4 and a molecular weight of 568.56 g/mol. Its IUPAC name is 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide.

Molecular Properties

Compound Name4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
PubChem CID172605937
Molecular FormulaC28H27F3N6O4
Molecular Weight568.56 g/mol
Exact Mass568.20
IUPAC Name4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cnn(C[C@H](C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)NCC1(F)CC1
InChIInChI=1S/C28H27F3N6O4/c1-15(38)12-37-13-19(11-34-37)16-6-18(10-32)23-20(7-16)35-36(2)25(23)17-8-21(40-3)24(22(9-17)41-27(29)30)26(39)33-14-28(31)4-5-28/h6-9,11,13,15,27,38H,4-5,12,14H2,1-3H3,(H,33,39)/t15-/m0/s1
InChIKeyATLGPKPCTSECNG-HNNXBMFYSA-N
XLogP4.20
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide with MolForge

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Related Compounds

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 33
CID 172605938
US20260062387, Example 63
CID 172605939
US20260062387, Example 41
CID 172605940
US20260062387, Example 172
CID 172605943

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide?
The IUPAC name of 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide (CID 172605937) is 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide.
What is the SMILES notation for 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide?
The canonical SMILES for 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide is COc1cc(-c2c3c(C#N)cc(-c4cnn(C[C@H](C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)NCC1(F)CC1.
What is the InChIKey of 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide?
The InChIKey is ATLGPKPCTSECNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C28H27F3N6O4/c1-15(38)12-37-13-19(11-34-37)16-6-18(10-32)23-20(7-16)35-36(2)25(23)17-8-21(40-3)24(22(9-17)41-27(29)30)26(39)33-14-28(31)4-5-28/h6-9,11,13,15,27,38H,4-5,12,14H2,1-3H3,(H,33,39)/t15-/m0/s1.
What are the key properties of 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide?
4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide has a molecular weight of 568.56 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide is sourced from PubChem (CID 172605937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).