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

C29H29F6N5O4 — CID 172605934

IUPACN-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C(F)F)cc(-c4cnn(CCC(C)(C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F
InChIInChI=1S/C29H29F6N5O4/c1-28(2,42)5-6-40-13-16(12-36-40)14-7-17(25(30)31)22-18(8-14)38-39(3)24(22)15-9-19(43-4)23(20(10-15)44-27(32)33)26(41)37-21-11-29(21,34)35/h7-10,12-13,21,25,27,42H,5-6,11H2,1-4H3,(H,37,41)/t21-/m1/s1
InChIKeyANJQPCHJDZARNJ-OAQYLSRUSA-N
MW625.57 g/mol
LogP5.95
Rot. Bonds11

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

N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide (PubChem CID 172605934) has the molecular formula C29H29F6N5O4 and a molecular weight of 625.57 g/mol. Its IUPAC name is N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide
PubChem CID172605934
Molecular FormulaC29H29F6N5O4
Molecular Weight625.57 g/mol
Exact Mass625.21
IUPAC NameN-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C(F)F)cc(-c4cnn(CCC(C)(C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F
InChIInChI=1S/C29H29F6N5O4/c1-28(2,42)5-6-40-13-16(12-36-40)14-7-17(25(30)31)22-18(8-14)38-39(3)24(22)15-9-19(43-4)23(20(10-15)44-27(32)33)26(41)37-21-11-29(21,34)35/h7-10,12-13,21,25,27,42H,5-6,11H2,1-4H3,(H,37,41)/t21-/m1/s1
InChIKeyANJQPCHJDZARNJ-OAQYLSRUSA-N
XLogP5.95
TPSA103.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.57
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-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 12
CID 172605935
US20260062387, Example 58
CID 172605937
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 N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide?
The IUPAC name of N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide (CID 172605934) is N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide.
What is the SMILES notation for N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide?
The canonical SMILES for N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide is COc1cc(-c2c3c(C(F)F)cc(-c4cnn(CCC(C)(C)O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N[C@@H]1CC1(F)F.
What is the InChIKey of N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide?
The InChIKey is ANJQPCHJDZARNJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H29F6N5O4/c1-28(2,42)5-6-40-13-16(12-36-40)14-7-17(25(30)31)22-18(8-14)38-39(3)24(22)15-9-19(43-4)23(20(10-15)44-27(32)33)26(41)37-21-11-29(21,34)35/h7-10,12-13,21,25,27,42H,5-6,11H2,1-4H3,(H,37,41)/t21-/m1/s1.
What are the key properties of N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide?
N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide has a molecular weight of 625.57 g/mol, XLogP of 5.95, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-4-[4-(difluoromethyl)-6-[1-(3-hydroxy-3-methylbutyl)pyrazol-4-yl]-2-methylindazol-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 172605934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).