14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C20H20ClFN4 — CID 71008046

IUPAC14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)nc1
InChIInChI=1S/C20H20ClFN4/c21-13-10-16-19-17-2-1-7-25(17)8-6-18(19)26(20(16)24-11-13)9-5-15-4-3-14(22)12-23-15/h3-4,10-12,17H,1-2,5-9H2
InChIKeyJYUOGQSAFRKDKG-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.16
Rot. Bonds3

About 14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 71008046) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID71008046
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)nc1
InChIInChI=1S/C20H20ClFN4/c21-13-10-16-19-17-2-1-7-25(17)8-6-18(19)26(20(16)24-11-13)9-5-15-4-3-14(22)12-23-15/h3-4,10-12,17H,1-2,5-9H2
InChIKeyJYUOGQSAFRKDKG-UHFFFAOYSA-N
XLogP4.16
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-chloro-10-[2-(5-fluoro-2-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 14-chloro-10-[2-(5-fluoro-2-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 14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 71008046) is 14-chloro-10-[2-(5-fluoro-2-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 14-chloro-10-[2-(5-fluoro-2-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 14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Fc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)nc1.
What is the InChIKey of 14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is JYUOGQSAFRKDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c21-13-10-16-19-17-2-1-7-25(17)8-6-18(19)26(20(16)24-11-13)9-5-15-4-3-14(22)12-23-15/h3-4,10-12,17H,1-2,5-9H2.
What are the key properties of 14-chloro-10-[2-(5-fluoro-2-pyridinyl)ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
14-chloro-10-[2-(5-fluoro-2-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 370.86 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-10-[2-(5-fluoro-2-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 71008046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).