9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

C37H28F6N10 — CID 166867782

IUPAC9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1nn(C2CCC(c3cc(-c4cn[nH]c4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)cc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C37H28F6N10/c38-36(39,40)34-24(15-46-51-34)30-12-21(33-23-14-45-50-27(23)7-9-29(33)47-30)18-4-5-19(10-18)53-16-25(35(52-53)37(41,42)43)31-11-20(17-2-1-3-17)32-22-13-44-49-26(22)6-8-28(32)48-31/h6-9,11-19H,1-5,10H2,(H,44,49)(H,45,50)(H,46,51)
InChIKeyAWJHNPFUJBBGGY-UHFFFAOYSA-N
MW726.69 g/mol
LogP9.60
Rot. Bonds5

About 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline

9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (PubChem CID 166867782) has the molecular formula C37H28F6N10 and a molecular weight of 726.69 g/mol. Its IUPAC name is 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
PubChem CID166867782
Molecular FormulaC37H28F6N10
Molecular Weight726.69 g/mol
Exact Mass726.24
IUPAC Name9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1nn(C2CCC(c3cc(-c4cn[nH]c4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)cc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C37H28F6N10/c38-36(39,40)34-24(15-46-51-34)30-12-21(33-23-14-45-50-27(23)7-9-29(33)47-30)18-4-5-19(10-18)53-16-25(35(52-53)37(41,42)43)31-11-20(17-2-1-3-17)32-22-13-44-49-26(22)6-8-28(32)48-31/h6-9,11-19H,1-5,10H2,(H,44,49)(H,45,50)(H,46,51)
InChIKeyAWJHNPFUJBBGGY-UHFFFAOYSA-N
XLogP9.60
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.69
LogP ≤ 59.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline (CID 166867782) is 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is FC(F)(F)c1nn(C2CCC(c3cc(-c4cn[nH]c4C(F)(F)F)nc4ccc5[nH]ncc5c34)C2)cc1-c1cc(C2CCC2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
The InChIKey is AWJHNPFUJBBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28F6N10/c38-36(39,40)34-24(15-46-51-34)30-12-21(33-23-14-45-50-27(23)7-9-29(33)47-30)18-4-5-19(10-18)53-16-25(35(52-53)37(41,42)43)31-11-20(17-2-1-3-17)32-22-13-44-49-26(22)6-8-28(32)48-31/h6-9,11-19H,1-5,10H2,(H,44,49)(H,45,50)(H,46,51).
What are the key properties of 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline?
9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline has a molecular weight of 726.69 g/mol, XLogP of 9.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclobutyl-7-[3-(trifluoromethyl)-1-[3-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclopentyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 166867782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).