(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

C36H29F8N5O3 — CID 158325261

IUPAC(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
SMILESCOc1cc(-c2ccc(-c3ccnc(OC)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccn1
InChIInChI=1S/C36H29F8N5O3/c1-51-28-15-20(5-9-45-28)26-3-4-27(21-6-10-46-29(16-21)52-2)47-31(26)22(11-19-12-23(37)17-24(38)13-19)14-25(50)18-49-33-30(32(48-49)34(39)40)35(41,42)7-8-36(33,43)44/h3-6,9-10,12-13,15-17,22,34H,7-8,11,14,18H2,1-2H3/t22-/m1/s1
InChIKeyNVERQLWLRGTDNL-JOCHJYFZSA-N
MW731.64 g/mol
LogP8.60
Rot. Bonds12

About (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one

(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (PubChem CID 158325261) has the molecular formula C36H29F8N5O3 and a molecular weight of 731.64 g/mol. Its IUPAC name is (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
PubChem CID158325261
Molecular FormulaC36H29F8N5O3
Molecular Weight731.64 g/mol
Exact Mass731.21
IUPAC Name(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
SMILESCOc1cc(-c2ccc(-c3ccnc(OC)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccn1
InChIInChI=1S/C36H29F8N5O3/c1-51-28-15-20(5-9-45-28)26-3-4-27(21-6-10-46-29(16-21)52-2)47-31(26)22(11-19-12-23(37)17-24(38)13-19)14-25(50)18-49-33-30(32(48-49)34(39)40)35(41,42)7-8-36(33,43)44/h3-6,9-10,12-13,15-17,22,34H,7-8,11,14,18H2,1-2H3/t22-/m1/s1
InChIKeyNVERQLWLRGTDNL-JOCHJYFZSA-N
XLogP8.60
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.64
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[1-[(6-Methoxypyridin-3-yl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118378634
US20240140938, Example 27
CID 167145295
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 21027433
7-Methoxy-4-[1-phenyl-2-(pyridin-4-yl)ethyl]-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 58014049
N-[(1S)-1-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 90385830
3-(3,4-Difluorophenyl)-2-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide
CID 91413027
(5S)-3-methylidene-5-[(1R)-1-[2-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclohexan-1-one
CID 138656548
Ethane;[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 142174266
5-(3,5-Difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 146718432
1-(2,5-Dimethylpyrazolo[1,5-a]pyridin-3-yl)-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 148785817
(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 148890501
6-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-6-(2-methoxy-4-pyridinyl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 153260563

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?
The IUPAC name of (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one (CID 158325261) is (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one.
What is the SMILES notation for (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?
The canonical SMILES for (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is COc1cc(-c2ccc(-c3ccnc(OC)c3)c([C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)n2)ccn1.
What is the InChIKey of (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?
The InChIKey is NVERQLWLRGTDNL-JOCHJYFZSA-N. The full InChI is InChI=1S/C36H29F8N5O3/c1-51-28-15-20(5-9-45-28)26-3-4-27(21-6-10-46-29(16-21)52-2)47-31(26)22(11-19-12-23(37)17-24(38)13-19)14-25(50)18-49-33-30(32(48-49)34(39)40)35(41,42)7-8-36(33,43)44/h3-6,9-10,12-13,15-17,22,34H,7-8,11,14,18H2,1-2H3/t22-/m1/s1.
What are the key properties of (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one?
(4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one has a molecular weight of 731.64 g/mol, XLogP of 8.60, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3,6-bis(2-methoxy-4-pyridinyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one is sourced from PubChem (CID 158325261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).