12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

C19H22N6 — CID 15434926

IUPAC12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(-c3cccnc3)nnc1-2
InChIInChI=1S/C19H22N6/c1-2-16-15-9-11-24-18(13-6-5-10-20-12-13)21-22-19(24)17(15)25(23-16)14-7-3-4-8-14/h5-6,10,12,14H,2-4,7-9,11H2,1H3
InChIKeyGXORHWSQSORRGH-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.44
Rot. Bonds3

About 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene

12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (PubChem CID 15434926) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
PubChem CID15434926
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
SMILESCCc1nn(C2CCCC2)c2c1CCn1c(-c3cccnc3)nnc1-2
InChIInChI=1S/C19H22N6/c1-2-16-15-9-11-24-18(13-6-5-10-20-12-13)21-22-19(24)17(15)25(23-16)14-7-3-4-8-14/h5-6,10,12,14H,2-4,7-9,11H2,1H3
InChIKeyGXORHWSQSORRGH-UHFFFAOYSA-N
XLogP3.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The IUPAC name of 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene (CID 15434926) is 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene.
What is the SMILES notation for 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The canonical SMILES for 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccnc3)nnc1-2.
What is the InChIKey of 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
The InChIKey is GXORHWSQSORRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-16-15-9-11-24-18(13-6-5-10-20-12-13)21-22-19(24)17(15)25(23-16)14-7-3-4-8-14/h5-6,10,12,14H,2-4,7-9,11H2,1H3.
What are the key properties of 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene?
12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene has a molecular weight of 334.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-cyclopentyl-10-ethyl-5-pyridin-3-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene is sourced from PubChem (CID 15434926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).