4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline

C17H16F5N5 — CID 143957660

IUPAC4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
SMILESCN1CCN(c2nc3ccc(C(F)(F)C(F)(F)F)cc3c3cn[nH]c23)CC1
InChIInChI=1S/C17H16F5N5/c1-26-4-6-27(7-5-26)15-14-12(9-23-25-14)11-8-10(2-3-13(11)24-15)16(18,19)17(20,21)22/h2-3,8-9H,4-7H2,1H3,(H,23,25)
InChIKeyVODKIRDKEKRNPN-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.52
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline

4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline (PubChem CID 143957660) has the molecular formula C17H16F5N5 and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
PubChem CID143957660
Molecular FormulaC17H16F5N5
Molecular Weight385.34 g/mol
Exact Mass385.13
IUPAC Name4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline
SMILESCN1CCN(c2nc3ccc(C(F)(F)C(F)(F)F)cc3c3cn[nH]c23)CC1
InChIInChI=1S/C17H16F5N5/c1-26-4-6-27(7-5-26)15-14-12(9-23-25-14)11-8-10(2-3-13(11)24-15)16(18,19)17(20,21)22/h2-3,8-9H,4-7H2,1H3,(H,23,25)
InChIKeyVODKIRDKEKRNPN-UHFFFAOYSA-N
XLogP3.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-5-(4-methylpiperazin-1-yl)-9-(trifluoromethyl)-2,3-dihydrobenzo[f][1,7]naphthyridine
CID 91157741
4-(4-methylpiperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline
CID 21029579
9-(4-methylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,5-f]quinoline
CID 155151602
7-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline
CID 143957737
8-fluoro-5-(4-methylpiperazin-1-yl)-9-(1,1,2,2,2-pentafluoroethyl)pyrazino[2,3-c]quinoline
CID 143957667
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 86039288
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
8-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-9,10-dihydro-8H-azepino[2,3-c]quinoline
CID 70909049
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
1-ethenyl-5-(4-methylpiperazin-1-yl)-2,9-bis(trifluoromethyl)pyrazolo[1,5-c]quinazoline
CID 162601554
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139473
6-(4-methylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
CID 139668161

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline (CID 143957660) is 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline is CN1CCN(c2nc3ccc(C(F)(F)C(F)(F)F)cc3c3cn[nH]c23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline?
The InChIKey is VODKIRDKEKRNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N5/c1-26-4-6-27(7-5-26)15-14-12(9-23-25-14)11-8-10(2-3-13(11)24-15)16(18,19)17(20,21)22/h2-3,8-9H,4-7H2,1H3,(H,23,25).
What are the key properties of 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline?
4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline has a molecular weight of 385.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-8-(1,1,2,2,2-pentafluoroethyl)-3H-pyrazolo[5,4-c]quinoline is sourced from PubChem (CID 143957660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).