[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride

C70H77ClF8N14O7 — CID 158925032

About [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride

[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride (PubChem CID 158925032) has the molecular formula C70H77ClF8N14O7 and a molecular weight of 1413.91 g/mol. Its IUPAC name is [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride.

Molecular Properties

• Compound Name: [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride
• PubChem CID: 158925032
• Molecular Formula: C70H77ClF8N14O7
• Molecular Weight: 1413.91 g/mol
• Exact Mass: 1412.57
• IUPAC Name: [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)NCC(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(CO)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)CN)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.Cl
• InChI: InChI=1S/C32H31F4N7O2.C30H28F4N6O.C7H13NO4.CH4.ClH/c1-3-18-6-5-7-19(4-2)29(18)43-30(27-22-8-10-38-28(22)20(12-24(27)33)17-45-26(44)13-37)23-16-42(11-9-25(23)41-43)31-39-14-21(15-40-31)32(34,35)36;1-3-17-6-5-7-18(4-2)27(17)40-28(25-21-8-10-35-26(21)19(16-41)12-23(25)31)22-15-39(11-9-24(22)38-40)29-36-13-20(14-37-29)30(32,33)34;1-7(2,3)12-6(11)8-4-5(9)10;;/h5-8,10,12,14-15,38H,3-4,9,11,13,16-17,37H2,1-2H3;5-8,10,12-14,35,41H,3-4,9,11,15-16H2,1-2H3;4H2,1-3H3,(H,8,11)(H,9,10);1H4;1H
• InChIKey: WUOUGYQLIDWUOK-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 273.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1413.91
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride?

The IUPAC name of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride (CID 158925032) is [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride.

What is the SMILES notation for [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride?

The canonical SMILES for [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride is C.CC(C)(C)OC(=O)NCC(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(CO)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(COC(=O)CN)c3[nH]ccc13)CN(c1ncc(C(F)(F)F)cn1)CC2.Cl.

What is the InChIKey of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride?

The InChIKey is WUOUGYQLIDWUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N7O2.C30H28F4N6O.C7H13NO4.CH4.ClH/c1-3-18-6-5-7-19(4-2)29(18)43-30(27-22-8-10-38-28(22)20(12-24(27)33)17-45-26(44)13-37)23-16-42(11-9-25(23)41-43)31-39-14-21(15-40-31)32(34,35)36;1-3-17-6-5-7-18(4-2)27(17)40-28(25-21-8-10-35-26(21)19(16-41)12-23(25)31)22-15-39(11-9-24(22)38-40)29-36-13-20(14-37-29)30(32,33)34;1-7(2,3)12-6(11)8-4-5(9)10;;/h5-8,10,12,14-15,38H,3-4,9,11,13,16-17,37H2,1-2H3;5-8,10,12-14,35,41H,3-4,9,11,15-16H2,1-2H3;4H2,1-3H3,(H,8,11)(H,9,10);1H4;1H.

What are the key properties of [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride?

[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride has a molecular weight of 1413.91 g/mol, XLogP of 13.46, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methanol;[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;hydrochloride is sourced from PubChem (CID 158925032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).