10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C17H10ClN7 — CID 4912067

IUPAC10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccccc1-n1ncc2c1ncn1nc(-c3ccncc3)nc21
InChIInChI=1S/C17H10ClN7/c18-13-3-1-2-4-14(13)25-16-12(9-21-25)17-22-15(23-24(17)10-20-16)11-5-7-19-8-6-11/h1-10H
InChIKeyRUYLBYQXKYVQRJ-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.18
Rot. Bonds2

About 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4912067) has the molecular formula C17H10ClN7 and a molecular weight of 347.77 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4912067
Molecular FormulaC17H10ClN7
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccccc1-n1ncc2c1ncn1nc(-c3ccncc3)nc21
InChIInChI=1S/C17H10ClN7/c18-13-3-1-2-4-14(13)25-16-12(9-21-25)17-22-15(23-24(17)10-20-16)11-5-7-19-8-6-11/h1-10H
InChIKeyRUYLBYQXKYVQRJ-UHFFFAOYSA-N
XLogP3.18
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4912067) is 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Clc1ccccc1-n1ncc2c1ncn1nc(-c3ccncc3)nc21.
What is the InChIKey of 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is RUYLBYQXKYVQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN7/c18-13-3-1-2-4-14(13)25-16-12(9-21-25)17-22-15(23-24(17)10-20-16)11-5-7-19-8-6-11/h1-10H.
What are the key properties of 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 347.77 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-4-pyridin-4-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 4912067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).