5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine

C39H41F6N7O4 — CID 59995638

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
SMILESCCC(CC)n1nc(-c2nn(C(CC)CC)c3nc(C)c(-c4ccc(OC(F)(F)F)cc4OC)nc23)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21
InChIInChI=1S/C39H41F6N7O4/c1-9-22(10-2)51-28-17-20(5)31(26-15-13-24(18-29(26)53-7)55-38(40,41)42)47-33(28)34(49-51)35-36-37(52(50-35)23(11-3)12-4)46-21(6)32(48-36)27-16-14-25(19-30(27)54-8)56-39(43,44)45/h13-19,22-23H,9-12H2,1-8H3
InChIKeyYRZNXBAFJVXZCB-UHFFFAOYSA-N
MW785.79 g/mol
LogP10.73
Rot. Bonds13

About 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine (PubChem CID 59995638) has the molecular formula C39H41F6N7O4 and a molecular weight of 785.79 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
PubChem CID59995638
Molecular FormulaC39H41F6N7O4
Molecular Weight785.79 g/mol
Exact Mass785.31
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
SMILESCCC(CC)n1nc(-c2nn(C(CC)CC)c3nc(C)c(-c4ccc(OC(F)(F)F)cc4OC)nc23)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21
InChIInChI=1S/C39H41F6N7O4/c1-9-22(10-2)51-28-17-20(5)31(26-15-13-24(18-29(26)53-7)55-38(40,41)42)47-33(28)34(49-51)35-36-37(52(50-35)23(11-3)12-4)46-21(6)32(48-36)27-16-14-25(19-30(27)54-8)56-39(43,44)45/h13-19,22-23H,9-12H2,1-8H3
InChIKeyYRZNXBAFJVXZCB-UHFFFAOYSA-N
XLogP10.73
TPSA111.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500785.79
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine with MolForge

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Related Compounds

3-[2-(2,4-Dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 16008647
[3-(2,4-Dimethoxy-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine
CID 44307737
2-(2,4-Dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 168276153
7-(4-Cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 168291860
7-(4-Cyclopentylpiperazin-1-yl)-2-(4-methoxy-2-phenylmethoxyphenyl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 168295155
3-(2,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662582
5-[5-[4-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N,7-dimethylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 68181986
3-[4-[3-Fluoro-5-[(6-methyl-3-pyridinyl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694536
3-[4-[3-Fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694537
3-[3-Fluoro-4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694638
3-[2-Fluoro-4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694639
3-[4-[3-Fluoro-5-[[3-(2-methylpropyl)imidazol-4-yl]methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694640

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine (CID 59995638) is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine is CCC(CC)n1nc(-c2nn(C(CC)CC)c3nc(C)c(-c4ccc(OC(F)(F)F)cc4OC)nc23)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is YRZNXBAFJVXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41F6N7O4/c1-9-22(10-2)51-28-17-20(5)31(26-15-13-24(18-29(26)53-7)55-38(40,41)42)47-33(28)34(49-51)35-36-37(52(50-35)23(11-3)12-4)46-21(6)32(48-36)27-16-14-25(19-30(27)54-8)56-39(43,44)45/h13-19,22-23H,9-12H2,1-8H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 785.79 g/mol, XLogP of 10.73, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 59995638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).