6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one

C19H16N6O2S — CID 126940310

IUPAC6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1COCC1Nc1ncnc2sccc12
InChIInChI=1S/C19H16N6O2S/c26-17-2-1-14(12-3-6-20-7-4-12)24-25(17)16-10-27-9-15(16)23-18-13-5-8-28-19(13)22-11-21-18/h1-8,11,15-16H,9-10H2,(H,21,22,23)
InChIKeyPTMMCBKAIKZNGH-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.36
Rot. Bonds4

About 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one

6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126940310) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126940310
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1COCC1Nc1ncnc2sccc12
InChIInChI=1S/C19H16N6O2S/c26-17-2-1-14(12-3-6-20-7-4-12)24-25(17)16-10-27-9-15(16)23-18-13-5-8-28-19(13)22-11-21-18/h1-8,11,15-16H,9-10H2,(H,21,22,23)
InChIKeyPTMMCBKAIKZNGH-UHFFFAOYSA-N
XLogP2.36
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940401
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940398
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940299
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939386
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)oxolan-3-yl]-1H-indole-5-carboxamide
CID 126940248
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940339
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide
CID 135117350

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126940310) is 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1COCC1Nc1ncnc2sccc12.
What is the InChIKey of 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is PTMMCBKAIKZNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-17-2-1-14(12-3-6-20-7-4-12)24-25(17)16-10-27-9-15(16)23-18-13-5-8-28-19(13)22-11-21-18/h1-8,11,15-16H,9-10H2,(H,21,22,23).
What are the key properties of 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one?
6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 392.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126940310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).