5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

C18H16N6OS — CID 155521109

IUPAC5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
InChIInChI=1S/C18H16N6OS/c1-9-5-13-21-8-22-24(13)18-14(9)15(19)16(26-18)17(25)23-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,23,25)
InChIKeySFXVLENGUQBVFY-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-1,10,12-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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (PubChem CID 155521109) 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-1,10,12-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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
PubChem CID155521109
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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
SMILESCc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
InChIInChI=1S/C18H16N6OS/c1-9-5-13-21-8-22-24(13)18-14(9)15(19)16(26-18)17(25)23-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,23,25)
InChIKeySFXVLENGUQBVFY-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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide with MolForge

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Related Compounds

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CID 134540034
CID 134540034
CID 134540119
CID 134540119
CID 11418298
CID 11418298
CID 11676105
CID 11676105
CID 36931909
CID 36931909
CID 44390131
CID 44390131
CID 44390141
CID 44390141
CID 44390157
CID 44390157
CID 44390208
CID 44390208
CID 44390261
CID 44390261

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-1,10,12-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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide (CID 155521109) is 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,12-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-1,10,12-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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is Cc1cc2ncnn2c2sc(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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide?
The InChIKey is SFXVLENGUQBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-9-5-13-21-8-22-24(13)18-14(9)15(19)16(26-18)17(25)23-11-6-10-3-2-4-20-12(10)7-11/h2-5,8,11H,6-7,19H2,1H3,(H,23,25).
What are the key properties of 5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,12-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-1,10,12-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-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide is sourced from PubChem (CID 155521109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).