5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

C62H48F9N17 — CID 166867778

IUPAC5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESFC(F)(F)c1n[nH]cc1-c1cc(-c2cc(-n3cc(-c4cc(C5CCCC(n6cc(-c7nc8c(N9CCCCC9)cc9[nH]ncc9c8c8c7CCCC8)c(C(F)(F)F)n6)C5)c5c(ccc6[nH]ncc65)n4)c(C(F)(F)F)n3)ccn2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C62H48F9N17/c63-60(64,65)57-40(27-76-83-57)48-22-36(53-38-25-74-81-44(38)12-14-46(53)77-48)47-20-32(15-16-72-47)87-28-41(58(84-87)61(66,67)68)49-21-35(52-37-24-73-80-43(37)11-13-45(52)78-49)30-7-6-8-31(19-30)88-29-42(59(85-88)62(69,70)71)55-34-10-3-2-9-33(34)54-39-26-75-82-50(39)23-51(56(54)79-55)86-17-4-1-5-18-86/h11-16,20-31H,1-10,17-19H2,(H,73,80)(H,74,81)(H,75,82)(H,76,83)
InChIKeyFWUNAEPTRUQPEF-UHFFFAOYSA-N
MW1202.17 g/mol
LogP14.95
Rot. Bonds8

About 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine

5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 166867778) has the molecular formula C62H48F9N17 and a molecular weight of 1202.17 g/mol. Its IUPAC name is 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID166867778
Molecular FormulaC62H48F9N17
Molecular Weight1202.17 g/mol
Exact Mass1201.41
IUPAC Name5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
SMILESFC(F)(F)c1n[nH]cc1-c1cc(-c2cc(-n3cc(-c4cc(C5CCCC(n6cc(-c7nc8c(N9CCCCC9)cc9[nH]ncc9c8c8c7CCCC8)c(C(F)(F)F)n6)C5)c5c(ccc6[nH]ncc65)n4)c(C(F)(F)F)n3)ccn2)c2c(ccc3[nH]ncc32)n1
InChIInChI=1S/C62H48F9N17/c63-60(64,65)57-40(27-76-83-57)48-22-36(53-38-25-74-81-44(38)12-14-46(53)77-48)47-20-32(15-16-72-47)87-28-41(58(84-87)61(66,67)68)49-21-35(52-37-24-73-80-43(37)11-13-45(52)78-49)30-7-6-8-31(19-30)88-29-42(59(85-88)62(69,70)71)55-34-10-3-2-9-33(34)54-39-26-75-82-50(39)23-51(56(54)79-55)86-17-4-1-5-18-86/h11-16,20-31H,1-10,17-19H2,(H,73,80)(H,74,81)(H,75,82)(H,76,83)
InChIKeyFWUNAEPTRUQPEF-UHFFFAOYSA-N
XLogP14.95
TPSA205.16 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.17
LogP ≤ 514.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine (CID 166867778) is 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is FC(F)(F)c1n[nH]cc1-c1cc(-c2cc(-n3cc(-c4cc(C5CCCC(n6cc(-c7nc8c(N9CCCCC9)cc9[nH]ncc9c8c8c7CCCC8)c(C(F)(F)F)n6)C5)c5c(ccc6[nH]ncc65)n4)c(C(F)(F)F)n3)ccn2)c2c(ccc3[nH]ncc32)n1.
What is the InChIKey of 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is FWUNAEPTRUQPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48F9N17/c63-60(64,65)57-40(27-76-83-57)48-22-36(53-38-25-74-81-44(38)12-14-46(53)77-48)47-20-32(15-16-72-47)87-28-41(58(84-87)61(66,67)68)49-21-35(52-37-24-73-80-43(37)11-13-45(52)78-49)30-7-6-8-31(19-30)88-29-42(59(85-88)62(69,70)71)55-34-10-3-2-9-33(34)54-39-26-75-82-50(39)23-51(56(54)79-55)86-17-4-1-5-18-86/h11-16,20-31H,1-10,17-19H2,(H,73,80)(H,74,81)(H,75,82)(H,76,83).
What are the key properties of 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine?
5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 1202.17 g/mol, XLogP of 14.95, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-7-[3-(trifluoromethyl)-1-[3-[7-[3-(trifluoromethyl)-1-[2-[7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]-4-pyridinyl]pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]cyclohexyl]pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 166867778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).