cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol

C16H14FN5O — CID 68699155

IUPACcyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol
SMILESOC(c1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2)C1CC1
InChIInChI=1S/C16H14FN5O/c17-10-3-4-12-11(5-10)16-18-7-20-22(16)6-13-14(19-8-21(12)13)15(23)9-1-2-9/h3-5,7-9,15,23H,1-2,6H2
InChIKeyCEFVHTZTLRFIMY-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.08
Rot. Bonds2

About cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol

cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol (PubChem CID 68699155) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol.

Molecular Properties

Compound Namecyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol
PubChem CID68699155
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Namecyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol
SMILESOC(c1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2)C1CC1
InChIInChI=1S/C16H14FN5O/c17-10-3-4-12-11(5-10)16-18-7-20-22(16)6-13-14(19-8-21(12)13)15(23)9-1-2-9/h3-5,7-9,15,23H,1-2,6H2
InChIKeyCEFVHTZTLRFIMY-UHFFFAOYSA-N
XLogP2.08
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol?
The IUPAC name of cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol (CID 68699155) is cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol.
What is the SMILES notation for cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol?
The canonical SMILES for cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol is OC(c1ncn2c1Cn1ncnc1-c1cc(F)ccc1-2)C1CC1.
What is the InChIKey of cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol?
The InChIKey is CEFVHTZTLRFIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-10-3-4-12-11(5-10)16-18-7-20-22(16)6-13-14(19-8-21(12)13)15(23)9-1-2-9/h3-5,7-9,15,23H,1-2,6H2.
What are the key properties of cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol?
cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol has a molecular weight of 311.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(15-fluoro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)methanol is sourced from PubChem (CID 68699155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).