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

C38H33F6N13 — CID 155151633

IUPAC9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline
SMILESCN1CCN(c2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4c(cnn4C4CCCN(c5cc(-c6cn[nH]c6C(F)(F)F)nc6ccc7[nH]ncc7c56)C4)c23)CC1
InChIInChI=1S/C38H33F6N13/c1-54-9-11-55(12-10-54)31-13-28(22-16-46-52-35(22)37(39,40)41)50-27-6-7-30-24(34(27)31)18-48-57(30)20-3-2-8-56(19-20)32-14-29(23-17-47-53-36(23)38(42,43)44)49-26-5-4-25-21(33(26)32)15-45-51-25/h4-7,13-18,20H,2-3,8-12,19H2,1H3,(H,45,51)(H,46,52)(H,47,53)
InChIKeyBPJAMGZVRCJUPL-UHFFFAOYSA-N
MW785.76 g/mol
LogP7.42
Rot. Bonds5

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

9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline (PubChem CID 155151633) has the molecular formula C38H33F6N13 and a molecular weight of 785.76 g/mol. Its IUPAC name is 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline.

Molecular Properties

Compound Name9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline
PubChem CID155151633
Molecular FormulaC38H33F6N13
Molecular Weight785.76 g/mol
Exact Mass785.29
IUPAC Name9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline
SMILESCN1CCN(c2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4c(cnn4C4CCCN(c5cc(-c6cn[nH]c6C(F)(F)F)nc6ccc7[nH]ncc7c56)C4)c23)CC1
InChIInChI=1S/C38H33F6N13/c1-54-9-11-55(12-10-54)31-13-28(22-16-46-52-35(22)37(39,40)41)50-27-6-7-30-24(34(27)31)18-48-57(30)20-3-2-8-56(19-20)32-14-29(23-17-47-53-36(23)38(42,43)44)49-26-5-4-25-21(33(26)32)15-45-51-25/h4-7,13-18,20H,2-3,8-12,19H2,1H3,(H,45,51)(H,46,52)(H,47,53)
InChIKeyBPJAMGZVRCJUPL-UHFFFAOYSA-N
XLogP7.42
TPSA139.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.76
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline?
The IUPAC name of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline (CID 155151633) is 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline.
What is the SMILES notation for 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline?
The canonical SMILES for 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline is CN1CCN(c2cc(-c3cn[nH]c3C(F)(F)F)nc3ccc4c(cnn4C4CCCN(c5cc(-c6cn[nH]c6C(F)(F)F)nc6ccc7[nH]ncc7c56)C4)c23)CC1.
What is the InChIKey of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline?
The InChIKey is BPJAMGZVRCJUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33F6N13/c1-54-9-11-55(12-10-54)31-13-28(22-16-46-52-35(22)37(39,40)41)50-27-6-7-30-24(34(27)31)18-48-57(30)20-3-2-8-56(19-20)32-14-29(23-17-47-53-36(23)38(42,43)44)49-26-5-4-25-21(33(26)32)15-45-51-25/h4-7,13-18,20H,2-3,8-12,19H2,1H3,(H,45,51)(H,46,52)(H,47,53).
What are the key properties of 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline?
9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline has a molecular weight of 785.76 g/mol, XLogP of 7.42, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[1-[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinolin-9-yl]piperidin-3-yl]pyrazolo[4,5-f]quinoline is sourced from PubChem (CID 155151633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).