4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine

C52H44F4N14O — CID 159518784

IUPAC4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine
SMILESC.COc1ccccc1Nc1nc2ccccc2c2[nH]nc(N)c12.Cc1[nH]nc2c1c(Nc1ccc(C(F)(F)F)cc1)nc1ccccc12.Nc1n[nH]c2c1c(Nc1ccc(F)cc1)nc1ccccc12
InChIInChI=1S/C18H13F3N4.C17H15N5O.C16H12FN5.CH4/c1-10-15-16(25-24-10)13-4-2-3-5-14(13)23-17(15)22-12-8-6-11(7-9-12)18(19,20)21;1-23-13-9-5-4-8-12(13)20-17-14-15(21-22-16(14)18)10-6-2-3-7-11(10)19-17;17-9-5-7-10(8-6-9)19-16-13-14(21-22-15(13)18)11-3-1-2-4-12(11)20-16;/h2-9H,1H3,(H,22,23)(H,24,25);2-9H,1H3,(H,19,20)(H3,18,21,22);1-8H,(H,19,20)(H3,18,21,22);1H4
InChIKeyMBNRRHKZEWDWPK-UHFFFAOYSA-N
MW957.01 g/mol
LogP12.84
Rot. Bonds7

About 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine

4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine (PubChem CID 159518784) has the molecular formula C52H44F4N14O and a molecular weight of 957.01 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine
PubChem CID159518784
Molecular FormulaC52H44F4N14O
Molecular Weight957.01 g/mol
Exact Mass956.38
IUPAC Name4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine
SMILESC.COc1ccccc1Nc1nc2ccccc2c2[nH]nc(N)c12.Cc1[nH]nc2c1c(Nc1ccc(C(F)(F)F)cc1)nc1ccccc12.Nc1n[nH]c2c1c(Nc1ccc(F)cc1)nc1ccccc12
InChIInChI=1S/C18H13F3N4.C17H15N5O.C16H12FN5.CH4/c1-10-15-16(25-24-10)13-4-2-3-5-14(13)23-17(15)22-12-8-6-11(7-9-12)18(19,20)21;1-23-13-9-5-4-8-12(13)20-17-14-15(21-22-16(14)18)10-6-2-3-7-11(10)19-17;17-9-5-7-10(8-6-9)19-16-13-14(21-22-15(13)18)11-3-1-2-4-12(11)20-16;/h2-9H,1H3,(H,22,23)(H,24,25);2-9H,1H3,(H,19,20)(H3,18,21,22);1-8H,(H,19,20)(H3,18,21,22);1H4
InChIKeyMBNRRHKZEWDWPK-UHFFFAOYSA-N
XLogP12.84
TPSA222.07 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500957.01
LogP ≤ 512.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine with MolForge

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Related Compounds

N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 11990675
N-(5-fluoro-1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 11990697
N-(5-fluoro-1H-indazol-3-yl)-8-phenylmethoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 59213657
4-N-(4-chlorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine
CID 160278025
N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(5-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 160687311
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2,4-dichlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;N-(4-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(1H-indazol-3-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 162252800
4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
CID 124093761
4-N-(4-chlorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
CID 157744998
2-(2-cyclopropylphenyl)-N-(5,7-difluoro-1H-indazol-3-yl)quinazolin-4-amine;2-(2-cyclopropylphenyl)-N-(1H-indazol-3-yl)quinazolin-4-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine;N-(1H-indazol-3-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
CID 158070158

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine?
The IUPAC name of 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine (CID 159518784) is 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine?
The canonical SMILES for 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine is C.COc1ccccc1Nc1nc2ccccc2c2[nH]nc(N)c12.Cc1[nH]nc2c1c(Nc1ccc(C(F)(F)F)cc1)nc1ccccc12.Nc1n[nH]c2c1c(Nc1ccc(F)cc1)nc1ccccc12.
What is the InChIKey of 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine?
The InChIKey is MBNRRHKZEWDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4.C17H15N5O.C16H12FN5.CH4/c1-10-15-16(25-24-10)13-4-2-3-5-14(13)23-17(15)22-12-8-6-11(7-9-12)18(19,20)21;1-23-13-9-5-4-8-12(13)20-17-14-15(21-22-16(14)18)10-6-2-3-7-11(10)19-17;17-9-5-7-10(8-6-9)19-16-13-14(21-22-15(13)18)11-3-1-2-4-12(11)20-16;/h2-9H,1H3,(H,22,23)(H,24,25);2-9H,1H3,(H,19,20)(H3,18,21,22);1-8H,(H,19,20)(H3,18,21,22);1H4.
What are the key properties of 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine?
4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine has a molecular weight of 957.01 g/mol, XLogP of 12.84, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;methane;4-N-(2-methoxyphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine;3-methyl-N-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]quinolin-4-amine is sourced from PubChem (CID 159518784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).