8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

C22H25FN4 — CID 118401271

IUPAC8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(CF)nc2)CC2CCCN2C1
InChIInChI=1S/C22H25FN4/c1-15-9-19-20-14-26-7-2-3-18(26)10-21(20)27(22(19)25-12-15)8-6-16-4-5-17(11-23)24-13-16/h4-5,9,12-13,18H,2-3,6-8,10-11,14H2,1H3
InChIKeyWHYDNAQLYZTUJJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.97
Rot. Bonds4

About 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene

8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (PubChem CID 118401271) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.

Molecular Properties

Compound Name8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
PubChem CID118401271
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(CF)nc2)CC2CCCN2C1
InChIInChI=1S/C22H25FN4/c1-15-9-19-20-14-26-7-2-3-18(26)10-21(20)27(22(19)25-12-15)8-6-16-4-5-17(11-23)24-13-16/h4-5,9,12-13,18H,2-3,6-8,10-11,14H2,1H3
InChIKeyWHYDNAQLYZTUJJ-UHFFFAOYSA-N
XLogP3.97
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The IUPAC name of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene (CID 118401271) is 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene.
What is the SMILES notation for 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The canonical SMILES for 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is Cc1cnc2c(c1)c1c(n2CCc2ccc(CF)nc2)CC2CCCN2C1.
What is the InChIKey of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
The InChIKey is WHYDNAQLYZTUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-15-9-19-20-14-26-7-2-3-18(26)10-21(20)27(22(19)25-12-15)8-6-16-4-5-17(11-23)24-13-16/h4-5,9,12-13,18H,2-3,6-8,10-11,14H2,1H3.
What are the key properties of 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene?
8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene has a molecular weight of 364.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-4-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene is sourced from PubChem (CID 118401271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).