[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate

C17H13N7O2S — CID 68750235

IUPAC[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESCn1nc(-c2c(C#N)c(N)nc3sc(OC(N)=O)c(N)c23)c2ccccc21
InChIInChI=1S/C17H13N7O2S/c1-24-9-5-3-2-4-7(9)13(23-24)10-8(6-18)14(20)22-15-11(10)12(19)16(27-15)26-17(21)25/h2-5H,19H2,1H3,(H2,20,22)(H2,21,25)
InChIKeySVUIPUYLLKHEIU-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.34
Rot. Bonds2

About [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate

[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 68750235) has the molecular formula C17H13N7O2S and a molecular weight of 379.41 g/mol. Its IUPAC name is [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID68750235
Molecular FormulaC17H13N7O2S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Name[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESCn1nc(-c2c(C#N)c(N)nc3sc(OC(N)=O)c(N)c23)c2ccccc21
InChIInChI=1S/C17H13N7O2S/c1-24-9-5-3-2-4-7(9)13(23-24)10-8(6-18)14(20)22-15-11(10)12(19)16(27-15)26-17(21)25/h2-5H,19H2,1H3,(H2,20,22)(H2,21,25)
InChIKeySVUIPUYLLKHEIU-UHFFFAOYSA-N
XLogP2.34
TPSA158.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate 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 [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 68750235) is [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate is Cn1nc(-c2c(C#N)c(N)nc3sc(OC(N)=O)c(N)c23)c2ccccc21.
What is the InChIKey of [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is SVUIPUYLLKHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2S/c1-24-9-5-3-2-4-7(9)13(23-24)10-8(6-18)14(20)22-15-11(10)12(19)16(27-15)26-17(21)25/h2-5H,19H2,1H3,(H2,20,22)(H2,21,25).
What are the key properties of [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 379.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-diamino-5-cyano-4-(1-methylindazol-3-yl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 68750235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).