7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one

C20H22N6OS — CID 165113958

IUPAC7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCc2cc3[nH]c(-c4c(N)c5sccc5[nH]c4=O)nc3cc2N(C)CC1
InChIInChI=1S/C20H22N6OS/c1-25-5-3-11-9-13-14(10-15(11)26(2)7-6-25)23-19(22-13)16-17(21)18-12(4-8-28-18)24-20(16)27/h4,8-10H,3,5-7H2,1-2H3,(H,22,23)(H3,21,24,27)
InChIKeySYURFKHWVRKXOJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.64
Rot. Bonds1

About 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one

7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 165113958) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one
PubChem CID165113958
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one
SMILESCN1CCc2cc3[nH]c(-c4c(N)c5sccc5[nH]c4=O)nc3cc2N(C)CC1
InChIInChI=1S/C20H22N6OS/c1-25-5-3-11-9-13-14(10-15(11)26(2)7-6-25)23-19(22-13)16-17(21)18-12(4-8-28-18)24-20(16)27/h4,8-10H,3,5-7H2,1-2H3,(H,22,23)(H3,21,24,27)
InChIKeySYURFKHWVRKXOJ-UHFFFAOYSA-N
XLogP2.64
TPSA94.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

7-amino-6-(5,6,8,9-tetrahydro-3H-imidazo[4,5-h][3,2]benzoxazepin-2-yl)-4H-thieno[3,2-b]pyridin-5-one
CID 175943949
7-amino-6-(13-cyclopropyl-5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraen-6-yl)-4H-thieno[3,2-b]pyridin-5-one
CID 165113990
7-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
CID 137131972
7-amino-6-[6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-selenopheno[3,2-b]pyridin-5-one
CID 168931892
4-amino-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371
6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 137297808
6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-(1-pyrimidin-2-ylethylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 154966445
4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 145214385
4-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 136621476
4-amino-5-fluoro-8-hydroxy-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 167713312
4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one;but-1-ene-2,3-diol
CID 176571063
4-amino-3-[6-(4-methylpiperazin-2-yl)oxy-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142670757

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one (CID 165113958) is 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one is CN1CCc2cc3[nH]c(-c4c(N)c5sccc5[nH]c4=O)nc3cc2N(C)CC1.
What is the InChIKey of 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is SYURFKHWVRKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-25-5-3-11-9-13-14(10-15(11)26(2)7-6-25)23-19(22-13)16-17(21)18-12(4-8-28-18)24-20(16)27/h4,8-10H,3,5-7H2,1-2H3,(H,22,23)(H3,21,24,27).
What are the key properties of 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one?
7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 394.50 g/mol, XLogP of 2.64, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(10,13-dimethyl-4,6,10,13-tetrazatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 165113958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).