15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C18H13ClN6 — CID 46882193

IUPAC15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1cccc(-c2ncn3c2Cn2ncnc2-c2cc(Cl)ccc2-3)n1
InChIInChI=1S/C18H13ClN6/c1-11-3-2-4-14(23-11)17-16-8-25-18(20-9-22-25)13-7-12(19)5-6-15(13)24(16)10-21-17/h2-7,9-10H,8H2,1H3
InChIKeyUSGILMBYCWJAQO-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.52
Rot. Bonds1

About 15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

15-chloro-5-(6-methyl-2-pyridinyl)-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 46882193) has the molecular formula C18H13ClN6 and a molecular weight of 348.80 g/mol. Its IUPAC name is 15-chloro-5-(6-methyl-2-pyridinyl)-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 Name15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID46882193
Molecular FormulaC18H13ClN6
Molecular Weight348.80 g/mol
Exact Mass348.09
IUPAC Name15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESCc1cccc(-c2ncn3c2Cn2ncnc2-c2cc(Cl)ccc2-3)n1
InChIInChI=1S/C18H13ClN6/c1-11-3-2-4-14(23-11)17-16-8-25-18(20-9-22-25)13-7-12(19)5-6-15(13)24(16)10-21-17/h2-7,9-10H,8H2,1H3
InChIKeyUSGILMBYCWJAQO-UHFFFAOYSA-N
XLogP3.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-chloro-5-(6-methyl-2-pyridinyl)-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

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-5-(6-methyl-2-pyridinyl)-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 15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 46882193) is 15-chloro-5-(6-methyl-2-pyridinyl)-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 15-chloro-5-(6-methyl-2-pyridinyl)-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 15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is Cc1cccc(-c2ncn3c2Cn2ncnc2-c2cc(Cl)ccc2-3)n1.
What is the InChIKey of 15-chloro-5-(6-methyl-2-pyridinyl)-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 USGILMBYCWJAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6/c1-11-3-2-4-14(23-11)17-16-8-25-18(20-9-22-25)13-7-12(19)5-6-15(13)24(16)10-21-17/h2-7,9-10H,8H2,1H3.
What are the key properties of 15-chloro-5-(6-methyl-2-pyridinyl)-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
15-chloro-5-(6-methyl-2-pyridinyl)-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 348.80 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-5-(6-methyl-2-pyridinyl)-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 46882193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).