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

C86H98FN17O2 — CID 162159147

About 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

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 (PubChem CID 162159147) has the molecular formula C86H98FN17O2 and a molecular weight of 1420.84 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162159147
• Molecular Formula: C86H98FN17O2
• Molecular Weight: 1420.84 g/mol
• Exact Mass: 1419.81
• IUPAC Name: 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
• SMILES: Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CCc2ccc(C(N)=O)nc2)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CCc2ccncc2)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CCc2cnccn2)CCN2CCCC12
• InChI: InChI=1S/C23H26FN3O.C22H25N5O.C21H24N4.C20H23N5/c1-15-12-18-21-19-4-3-10-26(19)11-9-20(21)27(22(18)25-13-15)14-23(2,28)16-5-7-17(24)8-6-16;1-14-11-16-20-18-3-2-8-26(18)9-7-19(20)27(22(16)25-12-14)10-6-15-4-5-17(21(23)28)24-13-15;1-15-13-17-20-18-3-2-10-24(18)11-7-19(20)25(21(17)23-14-15)12-6-16-4-8-22-9-5-16;1-14-11-16-19-17-3-2-8-24(17)9-5-18(19)25(20(16)23-12-14)10-4-15-13-21-6-7-22-15/h5-8,12-13,19,28H,3-4,9-11,14H2,1-2H3;4-5,11-13,18H,2-3,6-10H2,1H3,(H2,23,28);4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3;6-7,11-13,17H,2-5,8-10H2,1H3
• InChIKey: ZMFVEOJQIRKLII-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 199.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.84
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CCc2ccc(C(N)=O)nc2)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CCc2ccncc2)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CCc2cnccn2)CCN2CCCC12.

What is the InChIKey of 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?

The InChIKey is ZMFVEOJQIRKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O.C22H25N5O.C21H24N4.C20H23N5/c1-15-12-18-21-19-4-3-10-26(19)11-9-20(21)27(22(18)25-13-15)14-23(2,28)16-5-7-17(24)8-6-16;1-14-11-16-20-18-3-2-8-26(18)9-7-19(20)27(22(16)25-12-14)10-6-15-4-5-17(21(23)28)24-13-15;1-15-13-17-20-18-3-2-10-24(18)11-7-19(20)25(21(17)23-14-15)12-6-16-4-8-22-9-5-16;1-14-11-16-19-17-3-2-8-24(17)9-5-18(19)25(20(16)23-12-14)10-4-15-13-21-6-7-22-15/h5-8,12-13,19,28H,3-4,9-11,14H2,1-2H3;4-5,11-13,18H,2-3,6-10H2,1H3,(H2,23,28);4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3;6-7,11-13,17H,2-5,8-10H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 1420.84 g/mol, XLogP of 13.60, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162159147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).