2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine

C20H20N6O2S — CID 153418551

IUPAC2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine
SMILESCSc1nc(N)c2ccnc(Oc3cccc4c3cnn4C3CCCCO3)c2n1
InChIInChI=1S/C20H20N6O2S/c1-29-20-24-17-12(18(21)25-20)8-9-22-19(17)28-15-6-4-5-14-13(15)11-23-26(14)16-7-2-3-10-27-16/h4-6,8-9,11,16H,2-3,7,10H2,1H3,(H2,21,24,25)
InChIKeyANKCNLZEMOUBIF-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.17
Rot. Bonds4

About 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine

2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine (PubChem CID 153418551) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine
PubChem CID153418551
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine
SMILESCSc1nc(N)c2ccnc(Oc3cccc4c3cnn4C3CCCCO3)c2n1
InChIInChI=1S/C20H20N6O2S/c1-29-20-24-17-12(18(21)25-20)8-9-22-19(17)28-15-6-4-5-14-13(15)11-23-26(14)16-7-2-3-10-27-16/h4-6,8-9,11,16H,2-3,7,10H2,1H3,(H2,21,24,25)
InChIKeyANKCNLZEMOUBIF-UHFFFAOYSA-N
XLogP4.17
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine 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

methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate
CID 139345951
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654
1-[(2S)-oxan-2-yl]indazole
CID 124562379
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
10-[6-chloro-5-cyclopropyl-1-(oxan-2-yl)indazol-4-yl]-5-methylsulfanyl-3-phenylmethoxy-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
CID 172588189
4-methoxy-6-[1-(oxan-2-yl)indazol-4-yl]-2-phenoxy-8-(1,3-thiazol-2-yl)quinazolin-5-amine
CID 169320788
7-bromo-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxyquinazolin-4-amine
CID 177195504

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine (CID 153418551) is 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine is CSc1nc(N)c2ccnc(Oc3cccc4c3cnn4C3CCCCO3)c2n1.
What is the InChIKey of 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ANKCNLZEMOUBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-29-20-24-17-12(18(21)25-20)8-9-22-19(17)28-15-6-4-5-14-13(15)11-23-26(14)16-7-2-3-10-27-16/h4-6,8-9,11,16H,2-3,7,10H2,1H3,(H2,21,24,25).
What are the key properties of 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine?
2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 408.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 153418551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).