10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C21H23FN4 — CID 73330809

IUPAC10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1ccc(C(F)Cn2c3c(c4cccnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H23FN4/c1-14-6-7-15(12-24-14)17(22)13-26-19-8-11-25-10-3-5-18(25)20(19)16-4-2-9-23-21(16)26/h2,4,6-7,9,12,17-18H,3,5,8,10-11,13H2,1H3
InChIKeyVEOSABUSKAMUHI-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.14
Rot. Bonds3

About 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 73330809) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID73330809
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1ccc(C(F)Cn2c3c(c4cccnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H23FN4/c1-14-6-7-15(12-24-14)17(22)13-26-19-8-11-25-10-3-5-18(25)20(19)16-4-2-9-23-21(16)26/h2,4,6-7,9,12,17-18H,3,5,8,10-11,13H2,1H3
InChIKeyVEOSABUSKAMUHI-UHFFFAOYSA-N
XLogP4.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 73330809) is 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1ccc(C(F)Cn2c3c(c4cccnc42)C2CCCN2CC3)cn1.
What is the InChIKey of 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is VEOSABUSKAMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-14-6-7-15(12-24-14)17(22)13-26-19-8-11-25-10-3-5-18(25)20(19)16-4-2-9-23-21(16)26/h2,4,6-7,9,12,17-18H,3,5,8,10-11,13H2,1H3.
What are the key properties of 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 350.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-fluoro-2-(6-methyl-3-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 73330809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).