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

C17H18FN5 — CID 67548760

IUPAC14-fluoro-5-methyl-10-(2-methylpropyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ncn2c1Cn1nc(CC(C)C)nc1-c1c(F)cccc1-2
InChIInChI=1S/C17H18FN5/c1-10(2)7-15-20-17-16-12(18)5-4-6-13(16)22-9-19-11(3)14(22)8-23(17)21-15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyMBGGJCBHFDNDEZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.14
Rot. Bonds2

About 14-fluoro-5-methyl-10-(2-methylpropyl)-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-(2-methylpropyl)-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 67548760) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 14-fluoro-5-methyl-10-(2-methylpropyl)-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-(2-methylpropyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID67548760
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name14-fluoro-5-methyl-10-(2-methylpropyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1ncn2c1Cn1nc(CC(C)C)nc1-c1c(F)cccc1-2
InChIInChI=1S/C17H18FN5/c1-10(2)7-15-20-17-16-12(18)5-4-6-13(16)22-9-19-11(3)14(22)8-23(17)21-15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyMBGGJCBHFDNDEZ-UHFFFAOYSA-N
XLogP3.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-fluoro-5-methyl-10-(2-methylpropyl)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 14-fluoro-5-methyl-10-(2-methylpropyl)-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-(2-methylpropyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 67548760) is 14-fluoro-5-methyl-10-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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(CC(C)C)nc1-c1c(F)cccc1-2.
What is the InChIKey of 14-fluoro-5-methyl-10-(2-methylpropyl)-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 MBGGJCBHFDNDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-10(2)7-15-20-17-16-12(18)5-4-6-13(16)22-9-19-11(3)14(22)8-23(17)21-15/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 14-fluoro-5-methyl-10-(2-methylpropyl)-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-(2-methylpropyl)-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 311.36 g/mol, XLogP of 3.14, 2 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-(2-methylpropyl)-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 67548760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).