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

C48H49F6N13 — CID 166867781

IUPAC9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline
SMILESFC(F)(F)c1nn(C2CCCC(c3cc(-c4cn[nH]c4C(F)(F)F)nc4c(N5CCNCC5)cc5[nH]ncc5c34)C2)cc1-c1cc(C2CCCC2)c2c(n1)c(N1CCCCC1)cc1[nH]ncc12
InChIInChI=1S/C48H49F6N13/c49-47(50,51)45-33(24-58-63-45)35-19-30(42-32-23-57-62-38(32)21-40(44(42)59-35)66-15-11-55-12-16-66)27-9-6-10-28(17-27)67-25-34(46(64-67)48(52,53)54)36-18-29(26-7-2-3-8-26)41-31-22-56-61-37(31)20-39(43(41)60-36)65-13-4-1-5-14-65/h18-28,55H,1-17H2,(H,56,61)(H,57,62)(H,58,63)
InChIKeyZUHQEVWNUMPPEW-UHFFFAOYSA-N
MW922.00 g/mol
LogP10.78
Rot. Bonds7

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

9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline (PubChem CID 166867781) has the molecular formula C48H49F6N13 and a molecular weight of 922.00 g/mol. Its IUPAC name is 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline.

Molecular Properties

Compound Name9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline
PubChem CID166867781
Molecular FormulaC48H49F6N13
Molecular Weight922.00 g/mol
Exact Mass921.41
IUPAC Name9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline
SMILESFC(F)(F)c1nn(C2CCCC(c3cc(-c4cn[nH]c4C(F)(F)F)nc4c(N5CCNCC5)cc5[nH]ncc5c34)C2)cc1-c1cc(C2CCCC2)c2c(n1)c(N1CCCCC1)cc1[nH]ncc12
InChIInChI=1S/C48H49F6N13/c49-47(50,51)45-33(24-58-63-45)35-19-30(42-32-23-57-62-38(32)21-40(44(42)59-35)66-15-11-55-12-16-66)27-9-6-10-28(17-27)67-25-34(46(64-67)48(52,53)54)36-18-29(26-7-2-3-8-26)41-31-22-56-61-37(31)20-39(43(41)60-36)65-13-4-1-5-14-65/h18-28,55H,1-17H2,(H,56,61)(H,57,62)(H,58,63)
InChIKeyZUHQEVWNUMPPEW-UHFFFAOYSA-N
XLogP10.78
TPSA148.15 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.00
LogP ≤ 510.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline?
The IUPAC name of 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline (CID 166867781) is 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline.
What is the SMILES notation for 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline?
The canonical SMILES for 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline is FC(F)(F)c1nn(C2CCCC(c3cc(-c4cn[nH]c4C(F)(F)F)nc4c(N5CCNCC5)cc5[nH]ncc5c34)C2)cc1-c1cc(C2CCCC2)c2c(n1)c(N1CCCCC1)cc1[nH]ncc12.
What is the InChIKey of 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline?
The InChIKey is ZUHQEVWNUMPPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49F6N13/c49-47(50,51)45-33(24-58-63-45)35-19-30(42-32-23-57-62-38(32)21-40(44(42)59-35)66-15-11-55-12-16-66)27-9-6-10-28(17-27)67-25-34(46(64-67)48(52,53)54)36-18-29(26-7-2-3-8-26)41-31-22-56-61-37(31)20-39(43(41)60-36)65-13-4-1-5-14-65/h18-28,55H,1-17H2,(H,56,61)(H,57,62)(H,58,63).
What are the key properties of 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline?
9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline has a molecular weight of 922.00 g/mol, XLogP of 10.78, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-7-[1-[3-[5-piperazin-1-yl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinolin-9-yl]cyclohexyl]-3-(trifluoromethyl)pyrazol-4-yl]-5-piperidin-1-yl-3H-pyrazolo[4,3-f]quinoline is sourced from PubChem (CID 166867781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).