4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide

C28H26F4N6O4 — CID 172605944

IUPAC4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cnn(CC(C)(C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F
InChIInChI=1S/C28H26F4N6O4/c1-27(2,40)13-38-12-17(11-34-38)14-5-16(10-33)22-18(6-14)36-37(3)24(22)15-7-19(41-4)23(20(8-15)42-26(29)30)25(39)35-21-9-28(21,31)32/h5-8,11-12,21,26,40H,9,13H2,1-4H3,(H,35,39)/t21-/m1/s1
InChIKeyQPTMQKZBXZNHGS-OAQYLSRUSA-N
MW586.55 g/mol
LogP4.49
Rot. Bonds9

About 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide

4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 172605944) has the molecular formula C28H26F4N6O4 and a molecular weight of 586.55 g/mol. Its IUPAC name is 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID172605944
Molecular FormulaC28H26F4N6O4
Molecular Weight586.55 g/mol
Exact Mass586.20
IUPAC Name4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C#N)cc(-c4cnn(CC(C)(C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F
InChIInChI=1S/C28H26F4N6O4/c1-27(2,40)13-38-12-17(11-34-38)14-5-16(10-33)22-18(6-14)36-37(3)24(22)15-7-19(41-4)23(20(8-15)42-26(29)30)25(39)35-21-9-28(21,31)32/h5-8,11-12,21,26,40H,9,13H2,1-4H3,(H,35,39)/t21-/m1/s1
InChIKeyQPTMQKZBXZNHGS-OAQYLSRUSA-N
XLogP4.49
TPSA127.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide with MolForge

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Related Compounds

US20260062387, Comparative Example 5
CID 155727246
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 33
CID 172605938
US20260062387, Example 63
CID 172605939

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide (CID 172605944) is 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2c3c(C#N)cc(-c4cnn(CC(C)(C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F.
What is the InChIKey of 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is QPTMQKZBXZNHGS-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H26F4N6O4/c1-27(2,40)13-38-12-17(11-34-38)14-5-16(10-33)22-18(6-14)36-37(3)24(22)15-7-19(41-4)23(20(8-15)42-26(29)30)25(39)35-21-9-28(21,31)32/h5-8,11-12,21,26,40H,9,13H2,1-4H3,(H,35,39)/t21-/m1/s1.
What are the key properties of 4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide?
4-[4-cyano-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 586.55 g/mol, XLogP of 4.49, 9 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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 172605944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).