2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide

C25H23F4N5O4 — CID 172606217

IUPAC2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C(F)F)cc(-c4cnn([C@@H]5CCOC5)c4)cc3nn2C)cc(OC(F)F)c1C(N)=O
InChIInChI=1S/C25H23F4N5O4/c1-33-22(13-7-18(36-2)21(24(30)35)19(8-13)38-25(28)29)20-16(23(26)27)5-12(6-17(20)32-33)14-9-31-34(10-14)15-3-4-37-11-15/h5-10,15,23,25H,3-4,11H2,1-2H3,(H2,30,35)/t15-/m1/s1
InChIKeyPFQONHBMPMVNAB-OAHLLOKOSA-N
MW533.48 g/mol
LogP4.71
Rot. Bonds8

About 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide

2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide (PubChem CID 172606217) has the molecular formula C25H23F4N5O4 and a molecular weight of 533.48 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide
PubChem CID172606217
Molecular FormulaC25H23F4N5O4
Molecular Weight533.48 g/mol
Exact Mass533.17
IUPAC Name2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2c3c(C(F)F)cc(-c4cnn([C@@H]5CCOC5)c4)cc3nn2C)cc(OC(F)F)c1C(N)=O
InChIInChI=1S/C25H23F4N5O4/c1-33-22(13-7-18(36-2)21(24(30)35)19(8-13)38-25(28)29)20-16(23(26)27)5-12(6-17(20)32-33)14-9-31-34(10-14)15-3-4-37-11-15/h5-10,15,23,25H,3-4,11H2,1-2H3,(H2,30,35)/t15-/m1/s1
InChIKeyPFQONHBMPMVNAB-OAHLLOKOSA-N
XLogP4.71
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[3-[3-(difluoromethoxy)-4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]-5-methoxyphenyl]-4-(difluoromethyl)-2-methylindazol-6-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 172606118
[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone
CID 172606121
4-[4-cyano-2-methyl-6-[1-(oxetan-2-ylmethyl)pyrazol-4-yl]indazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
CID 172606104
3-(difluoromethoxy)-5-[1-(oxan-4-yl)pyrazol-4-yl]benzoic acid
CID 171382876
4-[4-cyano-6-[1-[(1,1-dioxothietan-2-yl)methyl]pyrazol-4-yl]-2-methylindazol-3-yl]-2-(difluoromethoxy)-N-[(1-fluorocyclopropyl)methyl]-6-methoxybenzamide
CID 172606192
4-[4-cyano-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-2-methylindazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
CID 172605959
4-[4-cyano-2-methyl-6-(1H-pyrazol-4-yl)indazol-3-yl]-N-[(1R)-2,2-difluorocyclopropyl]-2-(difluoromethoxy)-6-methoxybenzamide
CID 172605988
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-2,3-dimethylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 149156233
N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839946
N-[1-(oxan-4-yl)pyrazol-4-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90597747
3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 97428103

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide?
The IUPAC name of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide (CID 172606217) is 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide?
The canonical SMILES for 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide is COc1cc(-c2c3c(C(F)F)cc(-c4cnn([C@@H]5CCOC5)c4)cc3nn2C)cc(OC(F)F)c1C(N)=O.
What is the InChIKey of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide?
The InChIKey is PFQONHBMPMVNAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H23F4N5O4/c1-33-22(13-7-18(36-2)21(24(30)35)19(8-13)38-25(28)29)20-16(23(26)27)5-12(6-17(20)32-33)14-9-31-34(10-14)15-3-4-37-11-15/h5-10,15,23,25H,3-4,11H2,1-2H3,(H2,30,35)/t15-/m1/s1.
What are the key properties of 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide?
2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide has a molecular weight of 533.48 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]indazol-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 172606217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).