14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C18H20FN5 — CID 67549268

IUPAC14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ncn2c1Cn1nc(CCC(C)C)nc1-c1c(F)cccc1-2
InChIInChI=1S/C18H20FN5/c1-11(2)7-8-16-21-18-17-13(19)5-4-6-14(17)23-10-20-12(3)15(23)9-24(18)22-16/h4-6,10-11H,7-9H2,1-3H3
InChIKeyJTVFLHQUISCJGN-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.53
Rot. Bonds3

About 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 67549268) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID67549268
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ncn2c1Cn1nc(CCC(C)C)nc1-c1c(F)cccc1-2
InChIInChI=1S/C18H20FN5/c1-11(2)7-8-16-21-18-17-13(19)5-4-6-14(17)23-10-20-12(3)15(23)9-24(18)22-16/h4-6,10-11H,7-9H2,1-3H3
InChIKeyJTVFLHQUISCJGN-UHFFFAOYSA-N
XLogP3.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 67549268) is 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is Cc1ncn2c1Cn1nc(CCC(C)C)nc1-c1c(F)cccc1-2.
What is the InChIKey of 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is JTVFLHQUISCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-11(2)7-8-16-21-18-17-13(19)5-4-6-14(17)23-10-20-12(3)15(23)9-24(18)22-16/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 325.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-5-methyl-10-(3-methylbutyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 67549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).