5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one

C18H13N7OS — CID 142265210

IUPAC5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c[nH]1
InChIInChI=1S/C18H13N7OS/c26-15-4-2-12(9-19-15)22-18-23-14-5-6-27-16(14)17(24-18)21-11-1-3-13-10(7-11)8-20-25-13/h1-9H,(H,19,26)(H,20,25)(H2,21,22,23,24)
InChIKeyHORDFCKPIBKXBH-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.74
Rot. Bonds4

About 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one

5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one (PubChem CID 142265210) has the molecular formula C18H13N7OS and a molecular weight of 375.42 g/mol. Its IUPAC name is 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one
PubChem CID142265210
Molecular FormulaC18H13N7OS
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c[nH]1
InChIInChI=1S/C18H13N7OS/c26-15-4-2-12(9-19-15)22-18-23-14-5-6-27-16(14)17(24-18)21-11-1-3-13-10(7-11)8-20-25-13/h1-9H,(H,19,26)(H,20,25)(H2,21,22,23,24)
InChIKeyHORDFCKPIBKXBH-UHFFFAOYSA-N
XLogP3.74
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one 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-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one (CID 142265210) is 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one is O=c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c[nH]1.
What is the InChIKey of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The InChIKey is HORDFCKPIBKXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7OS/c26-15-4-2-12(9-19-15)22-18-23-14-5-6-27-16(14)17(24-18)21-11-1-3-13-10(7-11)8-20-25-13/h1-9H,(H,19,26)(H,20,25)(H2,21,22,23,24).
What are the key properties of 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one has a molecular weight of 375.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 142265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).