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

C21H22ClFN4 — CID 118401270

IUPAC14-chloro-10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFCc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H22ClFN4/c22-15-10-17-20-18-2-1-7-26(18)8-6-19(20)27(21(17)25-13-15)9-5-14-3-4-16(11-23)24-12-14/h3-4,10,12-13,18H,1-2,5-9,11H2
InChIKeyOBHZAUDFTHLVHS-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.49
Rot. Bonds4

About 14-chloro-10-[2-[6-(fluoromethyl)-3-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-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 118401270) has the molecular formula C21H22ClFN4 and a molecular weight of 384.89 g/mol. Its IUPAC name is 14-chloro-10-[2-[6-(fluoromethyl)-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 Name14-chloro-10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID118401270
Molecular FormulaC21H22ClFN4
Molecular Weight384.89 g/mol
Exact Mass384.15
IUPAC Name14-chloro-10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFCc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1
InChIInChI=1S/C21H22ClFN4/c22-15-10-17-20-18-2-1-7-26(18)8-6-19(20)27(21(17)25-13-15)9-5-14-3-4-16(11-23)24-12-14/h3-4,10,12-13,18H,1-2,5-9,11H2
InChIKeyOBHZAUDFTHLVHS-UHFFFAOYSA-N
XLogP4.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-chloro-10-[2-[6-(fluoromethyl)-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 14-chloro-10-[2-[6-(fluoromethyl)-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 14-chloro-10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 118401270) is 14-chloro-10-[2-[6-(fluoromethyl)-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 14-chloro-10-[2-[6-(fluoromethyl)-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 14-chloro-10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is FCc1ccc(CCn2c3c(c4cc(Cl)cnc42)C2CCCN2CC3)cn1.
What is the InChIKey of 14-chloro-10-[2-[6-(fluoromethyl)-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 OBHZAUDFTHLVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4/c22-15-10-17-20-18-2-1-7-26(18)8-6-19(20)27(21(17)25-13-15)9-5-14-3-4-16(11-23)24-12-14/h3-4,10,12-13,18H,1-2,5-9,11H2.
What are the key properties of 14-chloro-10-[2-[6-(fluoromethyl)-3-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-[6-(fluoromethyl)-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 384.89 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-10-[2-[6-(fluoromethyl)-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 118401270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).