13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C16H12N4O — CID 44547846

IUPAC13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCOc1ccnc2[nH]c3cnc(-c4cccnc4)cc3c12
InChIInChI=1S/C16H12N4O/c1-21-14-4-6-18-16-15(14)11-7-12(19-9-13(11)20-16)10-3-2-5-17-8-10/h2-9H,1H3,(H,18,20)
InChIKeyIZPJJKJIGCIISN-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.18
Rot. Bonds2

About 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 44547846) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID44547846
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCOc1ccnc2[nH]c3cnc(-c4cccnc4)cc3c12
InChIInChI=1S/C16H12N4O/c1-21-14-4-6-18-16-15(14)11-7-12(19-9-13(11)20-16)10-3-2-5-17-8-10/h2-9H,1H3,(H,18,20)
InChIKeyIZPJJKJIGCIISN-UHFFFAOYSA-N
XLogP3.18
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Related Compounds

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
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
6-methoxy-5-(4-methyl-1,4-diazepan-1-yl)-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 67235616
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-(2-acetamidoethyl)-4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)benzamide
CID 67236373
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
6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 67235844
[4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67235332
4-(4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl)phenol
CID 58354688
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-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)-N-[2-(pyridin-2-ylamino)ethyl]benzamide
CID 67235835
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813

Frequently Asked Questions

What is the IUPAC name of 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 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) is 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is COc1ccnc2[nH]c3cnc(-c4cccnc4)cc3c12.
What is the InChIKey of 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is IZPJJKJIGCIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-21-14-4-6-18-16-15(14)11-7-12(19-9-13(11)20-16)10-3-2-5-17-8-10/h2-9H,1H3,(H,18,20).
What are the key properties of 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 276.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 44547846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).