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

C37H22F6N10 — CID 155151676

IUPAC9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1n[nH]cc1-c1cc(-c2cccc(-n3ncc4c5c(C6CC6)cc(-c6c[nH]nc6C(F)(F)F)nc5ccc43)c2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C37H22F6N10/c38-36(39,40)34-23(14-45-51-34)29-11-20(17-4-5-17)33-25-16-47-53(31(25)9-8-28(33)49-29)19-3-1-2-18(10-19)21-12-30(24-15-46-52-35(24)37(41,42)43)48-27-7-6-26-22(32(21)27)13-44-50-26/h1-3,6-17H,4-5H2,(H,44,50)(H,45,51)(H,46,52)
InChIKeyWTJCBPJZXMMQLD-UHFFFAOYSA-N
MW720.64 g/mol
LogP9.36
Rot. Bonds5

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

9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline (PubChem CID 155151676) has the molecular formula C37H22F6N10 and a molecular weight of 720.64 g/mol. Its IUPAC name is 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline
PubChem CID155151676
Molecular FormulaC37H22F6N10
Molecular Weight720.64 g/mol
Exact Mass720.19
IUPAC Name9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline
SMILESFC(F)(F)c1n[nH]cc1-c1cc(-c2cccc(-n3ncc4c5c(C6CC6)cc(-c6c[nH]nc6C(F)(F)F)nc5ccc43)c2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C37H22F6N10/c38-36(39,40)34-23(14-45-51-34)29-11-20(17-4-5-17)33-25-16-47-53(31(25)9-8-28(33)49-29)19-3-1-2-18(10-19)21-12-30(24-15-46-52-35(24)37(41,42)43)48-27-7-6-26-22(32(21)27)13-44-50-26/h1-3,6-17H,4-5H2,(H,44,50)(H,45,51)(H,46,52)
InChIKeyWTJCBPJZXMMQLD-UHFFFAOYSA-N
XLogP9.36
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.64
LogP ≤ 59.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline (CID 155151676) is 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline is FC(F)(F)c1n[nH]cc1-c1cc(-c2cccc(-n3ncc4c5c(C6CC6)cc(-c6c[nH]nc6C(F)(F)F)nc5ccc43)c2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline?
The InChIKey is WTJCBPJZXMMQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22F6N10/c38-36(39,40)34-23(14-45-51-34)29-11-20(17-4-5-17)33-25-16-47-53(31(25)9-8-28(33)49-29)19-3-1-2-18(10-19)21-12-30(24-15-46-52-35(24)37(41,42)43)48-27-7-6-26-22(32(21)27)13-44-50-26/h1-3,6-17H,4-5H2,(H,44,50)(H,45,51)(H,46,52).
What are the key properties of 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline?
9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline has a molecular weight of 720.64 g/mol, XLogP of 9.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[3-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]phenyl]pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 155151676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).