5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

C18H16N6OS — CID 155562860

IUPAC5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
InChIInChI=1S/C18H16N6OS/c1-9-5-13-23-21-8-24(13)18-14(9)15(19)16(26-18)17(25)22-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,22,25)
InChIKeyODNSWEAIRUOKFV-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.13
Rot. Bonds2

About 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (PubChem CID 155562860) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
PubChem CID155562860
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
InChIInChI=1S/C18H16N6OS/c1-9-5-13-23-21-8-24(13)18-14(9)15(19)16(26-18)17(25)22-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,22,25)
InChIKeyODNSWEAIRUOKFV-UHFFFAOYSA-N
XLogP2.13
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The IUPAC name of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (CID 155562860) is 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide.
What is the SMILES notation for 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The canonical SMILES for 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is Cc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12.
What is the InChIKey of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The InChIKey is ODNSWEAIRUOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-9-5-13-23-21-8-24(13)18-14(9)15(19)16(26-18)17(25)22-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,22,25).
What are the key properties of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is sourced from PubChem (CID 155562860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).