9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone

C119H113F2N35O2 — CID 159753951

About 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone

9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone (PubChem CID 159753951) has the molecular formula C119H113F2N35O2 and a molecular weight of 2103.45 g/mol. Its IUPAC name is 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone
• PubChem CID: 159753951
• Molecular Formula: C119H113F2N35O2
• Molecular Weight: 2103.45 g/mol
• Exact Mass: 2101.98
• IUPAC Name: 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone
• SMILES: CC1=NCC=C1c1cc(C(=O)N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(CN2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCN(C)CC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(Nc2cccc(F)c2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(Oc2cccc(F)c2)c2c(ccc3[nH]ncc32)n1
• InChI: InChI=1S/C21H21N5O.C20H15FN6.C20H14FN5O.C20H22N6.C19H21N7.C19H20N6/c1-13-14(7-8-22-13)19-11-15(21(27)26-9-3-2-4-10-26)20-16-12-23-25-17(16)5-6-18(20)24-19;1-11-14(9-22-26-11)18-8-19(24-13-4-2-3-12(21)7-13)20-15-10-23-27-16(15)5-6-17(20)25-18;1-11-14(9-22-25-11)18-8-19(27-13-4-2-3-12(21)7-13)20-15-10-23-26-16(15)5-6-17(20)24-18;1-13-15(10-21-24-13)19-9-14(12-26-7-3-2-4-8-26)20-16-11-22-25-17(16)5-6-18(20)23-19;1-12-13(10-20-23-12)17-9-18(26-7-5-25(2)6-8-26)19-14-11-21-24-15(14)3-4-16(19)22-17;1-12-13(10-20-23-12)17-9-18(25-7-3-2-4-8-25)19-14-11-21-24-15(14)5-6-16(19)22-17/h5-7,11-12H,2-4,8-10H2,1H3,(H,23,25);2-10H,1H3,(H,22,26)(H,23,27)(H,24,25);2-10H,1H3,(H,22,25)(H,23,26);5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,24)(H,22,25);3-4,9-11H,5-8H2,1-2H3,(H,20,23)(H,21,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)
• InChIKey: NDZWRPRNDMRGHX-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 459.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2103.45
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?

The IUPAC name of 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone (CID 159753951) is 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?

The canonical SMILES for 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone is CC1=NCC=C1c1cc(C(=O)N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(CN2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCCCC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(N2CCN(C)CC2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(Nc2cccc(F)c2)c2c(ccc3[nH]ncc32)n1.Cc1[nH]ncc1-c1cc(Oc2cccc(F)c2)c2c(ccc3[nH]ncc32)n1.

What is the InChIKey of 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?

The InChIKey is NDZWRPRNDMRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C20H15FN6.C20H14FN5O.C20H22N6.C19H21N7.C19H20N6/c1-13-14(7-8-22-13)19-11-15(21(27)26-9-3-2-4-10-26)20-16-12-23-25-17(16)5-6-18(20)24-19;1-11-14(9-22-26-11)18-8-19(24-13-4-2-3-12(21)7-13)20-15-10-23-27-16(15)5-6-17(20)25-18;1-11-14(9-22-25-11)18-8-19(27-13-4-2-3-12(21)7-13)20-15-10-23-26-16(15)5-6-17(20)24-18;1-13-15(10-21-24-13)19-9-14(12-26-7-3-2-4-8-26)20-16-11-22-25-17(16)5-6-18(20)23-19;1-12-13(10-20-23-12)17-9-18(26-7-5-25(2)6-8-26)19-14-11-21-24-15(14)3-4-16(19)22-17;1-12-13(10-20-23-12)17-9-18(25-7-3-2-4-8-25)19-14-11-21-24-15(14)5-6-16(19)22-17/h5-7,11-12H,2-4,8-10H2,1H3,(H,23,25);2-10H,1H3,(H,22,26)(H,23,27)(H,24,25);2-10H,1H3,(H,22,25)(H,23,26);5-6,9-11H,2-4,7-8,12H2,1H3,(H,21,24)(H,22,25);3-4,9-11H,5-8H2,1-2H3,(H,20,23)(H,21,24);5-6,9-11H,2-4,7-8H2,1H3,(H,20,23)(H,21,24).

What are the key properties of 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone?

9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone has a molecular weight of 2103.45 g/mol, XLogP of 23.19, 15 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-fluorophenoxy)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;N-(3-fluorophenyl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-amine;9-(4-methylpiperazin-1-yl)-7-(5-methyl-1H-pyrazol-4-yl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-(piperidin-1-ylmethyl)-3H-pyrazolo[4,5-f]quinoline;7-(5-methyl-1H-pyrazol-4-yl)-9-piperidin-1-yl-3H-pyrazolo[4,5-f]quinoline;[7-(5-methyl-2H-pyrrol-4-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159753951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).