5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

C19H19N5O2 — CID 98075145

IUPAC5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESO=C(C1CCCC1)N1Cc2nc3cc(-c4ccccn4)[nH]n3c(=O)c2C1
InChIInChI=1S/C19H19N5O2/c25-18(12-5-1-2-6-12)23-10-13-16(11-23)21-17-9-15(22-24(17)19(13)26)14-7-3-4-8-20-14/h3-4,7-9,12,22H,1-2,5-6,10-11H2
InChIKeyFZQBSLHEJQXJOZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.12
Rot. Bonds2

About 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one

5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (PubChem CID 98075145) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.

Molecular Properties

Compound Name5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
PubChem CID98075145
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
SMILESO=C(C1CCCC1)N1Cc2nc3cc(-c4ccccn4)[nH]n3c(=O)c2C1
InChIInChI=1S/C19H19N5O2/c25-18(12-5-1-2-6-12)23-10-13-16(11-23)21-17-9-15(22-24(17)19(13)26)14-7-3-4-8-20-14/h3-4,7-9,12,22H,1-2,5-6,10-11H2
InChIKeyFZQBSLHEJQXJOZ-UHFFFAOYSA-N
XLogP2.12
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The IUPAC name of 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one (CID 98075145) is 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
What is the SMILES notation for 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The canonical SMILES for 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is O=C(C1CCCC1)N1Cc2nc3cc(-c4ccccn4)[nH]n3c(=O)c2C1.
What is the InChIKey of 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
The InChIKey is FZQBSLHEJQXJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(12-5-1-2-6-12)23-10-13-16(11-23)21-17-9-15(22-24(17)19(13)26)14-7-3-4-8-20-14/h3-4,7-9,12,22H,1-2,5-6,10-11H2.
What are the key properties of 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one?
5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonyl)-11-pyridin-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one is sourced from PubChem (CID 98075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).