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

C22H25FN4 — CID 118401255

IUPAC10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(CF)nc2)CCN2CCCC12
InChIInChI=1S/C22H25FN4/c1-15-11-18-21-19-3-2-8-26(19)9-7-20(21)27(22(18)25-13-15)10-6-16-4-5-17(12-23)24-14-16/h4-5,11,13-14,19H,2-3,6-10,12H2,1H3
InChIKeyCMWPQUCJTAPPHG-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.14
Rot. Bonds4

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

10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 118401255) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID118401255
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESCc1cnc2c(c1)c1c(n2CCc2ccc(CF)nc2)CCN2CCCC12
InChIInChI=1S/C22H25FN4/c1-15-11-18-21-19-3-2-8-26(19)9-7-20(21)27(22(18)25-13-15)10-6-16-4-5-17(12-23)24-14-16/h4-5,11,13-14,19H,2-3,6-10,12H2,1H3
InChIKeyCMWPQUCJTAPPHG-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-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-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-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-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 118401255) is 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-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-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-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-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1cnc2c(c1)c1c(n2CCc2ccc(CF)nc2)CCN2CCCC12.
What is the InChIKey of 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is CMWPQUCJTAPPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-15-11-18-21-19-3-2-8-26(19)9-7-20(21)27(22(18)25-13-15)10-6-16-4-5-17(12-23)24-14-16/h4-5,11,13-14,19H,2-3,6-10,12H2,1H3.
What are the key properties of 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 364.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[6-(fluoromethyl)-3-pyridinyl]ethyl]-14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 118401255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).