1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide

C80H88ClF3N18O4 — CID 159628036

IUPAC1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide
SMILESCN1CCc2c(c3cc(Cl)cnc3n2CC(C)(O)c2ccc(C(F)(F)F)nc2)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1
InChIInChI=1S/C20H20ClF3N4O.C20H23N5O2.C20H21N5O.C20H24N4/c1-19(29,12-3-4-17(25-8-12)20(22,23)24)11-28-16-5-6-27(2)10-15(16)14-7-13(21)9-26-18(14)28;1-12-7-14-15-10-24(2)6-5-17(15)25(20(14)23-8-12)11-18(26)13-3-4-16(19(21)27)22-9-13;1-13-7-16-17-11-24(2)6-5-18(17)25(20(16)23-9-13)12-19(26)14-3-4-15(8-21)22-10-14;1-14-10-17-18-13-23(3)8-7-19(18)24(20(17)22-11-14)9-6-16-5-4-15(2)21-12-16/h3-4,7-9,29H,5-6,10-11H2,1-2H3;3-4,7-9,18,26H,5-6,10-11H2,1-2H3,(H2,21,27);3-4,7,9-10,19,26H,5-6,11-12H2,1-2H3;4-5,10-12H,6-9,13H2,1-3H3
InChIKeyMOTIIOFTFPADNJ-UHFFFAOYSA-N
MW1458.15 g/mol
LogP11.17
Rot. Bonds13

About 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide

1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide (PubChem CID 159628036) has the molecular formula C80H88ClF3N18O4 and a molecular weight of 1458.15 g/mol. Its IUPAC name is 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide
PubChem CID159628036
Molecular FormulaC80H88ClF3N18O4
Molecular Weight1458.15 g/mol
Exact Mass1456.69
IUPAC Name1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide
SMILESCN1CCc2c(c3cc(Cl)cnc3n2CC(C)(O)c2ccc(C(F)(F)F)nc2)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1
InChIInChI=1S/C20H20ClF3N4O.C20H23N5O2.C20H21N5O.C20H24N4/c1-19(29,12-3-4-17(25-8-12)20(22,23)24)11-28-16-5-6-27(2)10-15(16)14-7-13(21)9-26-18(14)28;1-12-7-14-15-10-24(2)6-5-17(15)25(20(14)23-8-12)11-18(26)13-3-4-16(19(21)27)22-9-13;1-13-7-16-17-11-24(2)6-5-18(17)25(20(16)23-9-13)12-19(26)14-3-4-15(8-21)22-10-14;1-14-10-17-18-13-23(3)8-7-19(18)24(20(17)22-11-14)9-6-16-5-4-15(2)21-12-16/h3-4,7-9,29H,5-6,10-11H2,1-2H3;3-4,7-9,18,26H,5-6,10-11H2,1-2H3,(H2,21,27);3-4,7,9-10,19,26H,5-6,11-12H2,1-2H3;4-5,10-12H,6-9,13H2,1-3H3
InChIKeyMOTIIOFTFPADNJ-UHFFFAOYSA-N
XLogP11.17
TPSA263.37 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001458.15
LogP ≤ 511.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile
CID 157910164
1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol
CID 158301181
4-chloro-7H-cyclopenta[b]pyridine-2-carbonitrile;4-chloro-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;N,4-diethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile;4-ethyl-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 158343491
4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol
CID 159917537
1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile
CID 159946291
1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol
CID 161857120
2-(4-Fluorophenyl)-1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)propan-2-ol;14-methyl-10-(2-pyrazin-2-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;14-methyl-10-(2-pyridin-4-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;5-[2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethyl]pyridine-2-carboxamide
CID 162159147

Frequently Asked Questions

What is the IUPAC name of 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
The IUPAC name of 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide (CID 159628036) is 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
The canonical SMILES for 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide is CN1CCc2c(c3cc(Cl)cnc3n2CC(C)(O)c2ccc(C(F)(F)F)nc2)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1.
What is the InChIKey of 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
The InChIKey is MOTIIOFTFPADNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O.C20H23N5O2.C20H21N5O.C20H24N4/c1-19(29,12-3-4-17(25-8-12)20(22,23)24)11-28-16-5-6-27(2)10-15(16)14-7-13(21)9-26-18(14)28;1-12-7-14-15-10-24(2)6-5-17(15)25(20(14)23-8-12)11-18(26)13-3-4-16(19(21)27)22-9-13;1-13-7-16-17-11-24(2)6-5-18(17)25(20(16)23-9-13)12-19(26)14-3-4-15(8-21)22-10-14;1-14-10-17-18-13-23(3)8-7-19(18)24(20(17)22-11-14)9-6-16-5-4-15(2)21-12-16/h3-4,7-9,29H,5-6,10-11H2,1-2H3;3-4,7-9,18,26H,5-6,10-11H2,1-2H3,(H2,21,27);3-4,7,9-10,19,26H,5-6,11-12H2,1-2H3;4-5,10-12H,6-9,13H2,1-3H3.
What are the key properties of 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide?
1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide has a molecular weight of 1458.15 g/mol, XLogP of 11.17, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-chloro-4-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;4,12-dimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 159628036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).