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

C22H21N5OS — CID 165113990

IUPAC7-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
SMILESNc1c(-c2nc3cc4c(cc3[nH]2)C2CC4CN(C3CC3)C2)c(=O)[nH]c2ccsc12
InChIInChI=1S/C22H21N5OS/c23-19-18(22(28)26-15-3-4-29-20(15)19)21-24-16-6-13-10-5-11(14(13)7-17(16)25-21)9-27(8-10)12-1-2-12/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,24,25)(H3,23,26,28)
InChIKeyLXJRGVVCFPFQGM-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.76
Rot. Bonds2

About 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

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 (PubChem CID 165113990) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID165113990
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name7-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
SMILESNc1c(-c2nc3cc4c(cc3[nH]2)C2CC4CN(C3CC3)C2)c(=O)[nH]c2ccsc12
InChIInChI=1S/C22H21N5OS/c23-19-18(22(28)26-15-3-4-29-20(15)19)21-24-16-6-13-10-5-11(14(13)7-17(16)25-21)9-27(8-10)12-1-2-12/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,24,25)(H3,23,26,28)
InChIKeyLXJRGVVCFPFQGM-UHFFFAOYSA-N
XLogP3.76
TPSA90.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

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
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-hydroxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4H-thieno[3,2-b]pyridin-5-one
CID 137131972
6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 137297808
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
6-[6-[2-(methylamino)ethylamino]-1H-benzimidazol-2-yl]-7-(piperidin-4-ylamino)-4H-thieno[3,2-b]pyridin-5-one
CID 166802762
5-cyclopropyl-4H-thieno[3,2-b]pyridin-7-one
CID 66350432
4-(1,6-diazabicyclo[3.1.1]heptan-6-ylamino)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinolin-2-one
CID 142683850
4-amino-3-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1H-benzimidazol-2-yl]-5-fluoro-1H-quinolin-2-one
CID 136599519
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-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-1,5-naphthyridin-2-one
CID 135839371

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1c(-c2nc3cc4c(cc3[nH]2)C2CC4CN(C3CC3)C2)c(=O)[nH]c2ccsc12.
What is the InChIKey of 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?
The InChIKey is LXJRGVVCFPFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c23-19-18(22(28)26-15-3-4-29-20(15)19)21-24-16-6-13-10-5-11(14(13)7-17(16)25-21)9-27(8-10)12-1-2-12/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,24,25)(H3,23,26,28).
What are the key properties of 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?
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 has a molecular weight of 403.51 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165113990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).