[2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol

C22H15FN4O — CID 44546951

IUPAC[2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol
SMILESOCc1ccccc1-c1c(F)cnc2[nH]c3cnc(-c4cccnc4)cc3c12
InChIInChI=1S/C22H15FN4O/c23-17-10-26-22-21(20(17)15-6-2-1-4-14(15)12-28)16-8-18(25-11-19(16)27-22)13-5-3-7-24-9-13/h1-11,28H,12H2,(H,26,27)
InChIKeyPDJXIXYBPZNKEJ-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.47
Rot. Bonds3

About [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol

[2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol (PubChem CID 44546951) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol
PubChem CID44546951
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name[2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol
SMILESOCc1ccccc1-c1c(F)cnc2[nH]c3cnc(-c4cccnc4)cc3c12
InChIInChI=1S/C22H15FN4O/c23-17-10-26-22-21(20(17)15-6-2-1-4-14(15)12-28)16-8-18(25-11-19(16)27-22)13-5-3-7-24-9-13/h1-11,28H,12H2,(H,26,27)
InChIKeyPDJXIXYBPZNKEJ-UHFFFAOYSA-N
XLogP4.47
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

13-(2-ethoxy-3-pyridinyl)-12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 58354655
13-(2-ethoxy-3-pyridinyl)-12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;2,2,2-trifluoroacetic acid
CID 162332339
12-fluoro-13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 58354691
acetic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridin-2-amine
CID 143908275
1-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)butane-1,2-diol
CID 44547850
N-cyclopropyl-4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)benzamide
CID 46917277
4-amino-5,5,5-trifluoro-1-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]-4-methylpentan-1-one
CID 147706001
ethyl (E)-3-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)prop-2-enoate
CID 44548160
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanone
CID 46917908
[4-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 46918032
13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 44547846

Frequently Asked Questions

What is the IUPAC name of [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol?
The IUPAC name of [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol (CID 44546951) is [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol.
What is the SMILES notation for [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol?
The canonical SMILES for [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol is OCc1ccccc1-c1c(F)cnc2[nH]c3cnc(-c4cccnc4)cc3c12.
What is the InChIKey of [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol?
The InChIKey is PDJXIXYBPZNKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c23-17-10-26-22-21(20(17)15-6-2-1-4-14(15)12-28)16-8-18(25-11-19(16)27-22)13-5-3-7-24-9-13/h1-11,28H,12H2,(H,26,27).
What are the key properties of [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol?
[2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol has a molecular weight of 370.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)phenyl]methanol is sourced from PubChem (CID 44546951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).