[5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C123H139BF12N26O6 — CID 158572605

About [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

[5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 158572605) has the molecular formula C123H139BF12N26O6 and a molecular weight of 2316.43 g/mol. Its IUPAC name is [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 158572605
• Molecular Formula: C123H139BF12N26O6
• Molecular Weight: 2316.43 g/mol
• Exact Mass: 2315.13
• IUPAC Name: [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2ncnc3c2CCC(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.CC1=Cc2ncnc(N3CCCCC3)c2CC1.Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O.FC(F)(F)c1ccc2[nH]ncc2c1C1CCc2c(ncnc2N2CCCCC2)C1.FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1C1=Cc2ncnc(N3CCCCC3)c2CC1.FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1C1CCc2c(ncnc2N2CCCCC2)C1
• InChI: InChI=1S/C26H30F3N5O.C26H28F3N5O.C23H23F3N6O.C21H22F3N5.C14H19N3.C13H17BN2O3/c2*27-26(28,29)20-9-10-22-19(15-32-34(22)23-6-2-5-13-35-23)24(20)17-7-8-18-21(14-17)30-16-31-25(18)33-11-3-1-4-12-33;1-2-20(33)31-7-9-32(10-8-31)22-15-4-3-14(11-19(15)27-13-28-22)21-16-12-29-30-18(16)6-5-17(21)23(24,25)26;22-21(23,24)16-6-7-17-15(11-27-28-17)19(16)13-4-5-14-18(10-13)25-12-26-20(14)29-8-2-1-3-9-29;1-11-5-6-12-13(9-11)15-10-16-14(12)17-7-3-2-4-8-17;1-9-5-6-11-10(13(9)14(17)18)8-15-16(11)12-4-2-3-7-19-12/h9-10,15-17,23H,1-8,11-14H2;9-10,14-16,23H,1-8,11-13H2;2,5-6,12-14H,1,3-4,7-11H2,(H,29,30);6-7,11-13H,1-5,8-10H2,(H,27,28);9-10H,2-8H2,1H3;5-6,8,12,17-18H,2-4,7H2,1H3
• InChIKey: HSGQULQAMXMPND-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 344.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2316.43
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 158572605) is [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ncnc3c2CCC(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.CC1=Cc2ncnc(N3CCCCC3)c2CC1.Cc1ccc2c(cnn2C2CCCCO2)c1B(O)O.FC(F)(F)c1ccc2[nH]ncc2c1C1CCc2c(ncnc2N2CCCCC2)C1.FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1C1=Cc2ncnc(N3CCCCC3)c2CC1.FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1C1CCc2c(ncnc2N2CCCCC2)C1.

What is the InChIKey of [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is HSGQULQAMXMPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O.C26H28F3N5O.C23H23F3N6O.C21H22F3N5.C14H19N3.C13H17BN2O3/c2*27-26(28,29)20-9-10-22-19(15-32-34(22)23-6-2-5-13-35-23)24(20)17-7-8-18-21(14-17)30-16-31-25(18)33-11-3-1-4-12-33;1-2-20(33)31-7-9-32(10-8-31)22-15-4-3-14(11-19(15)27-13-28-22)21-16-12-29-30-18(16)6-5-17(21)23(24,25)26;22-21(23,24)16-6-7-17-15(11-27-28-17)19(16)13-4-5-14-18(10-13)25-12-26-20(14)29-8-2-1-3-9-29;1-11-5-6-12-13(9-11)15-10-16-14(12)17-7-3-2-4-8-17;1-9-5-6-11-10(13(9)14(17)18)8-15-16(11)12-4-2-3-7-19-12/h9-10,15-17,23H,1-8,11-14H2;9-10,14-16,23H,1-8,11-13H2;2,5-6,12-14H,1,3-4,7-11H2,(H,29,30);6-7,11-13H,1-5,8-10H2,(H,27,28);9-10H,2-8H2,1H3;5-6,8,12,17-18H,2-4,7H2,1H3.

What are the key properties of [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

[5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2316.43 g/mol, XLogP of 23.48, 14 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-1-(oxan-2-yl)indazol-4-yl]boronic acid;7-methyl-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6-dihydroquinazoline;7-[1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline;4-piperidin-1-yl-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazoline;1-[4-[7-[5-(trifluoromethyl)-1H-indazol-4-yl]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158572605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).