[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone

C19H19N7O2S — CID 78209989

IUPAC[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C19H19N7O2S/c1-28-14-8-12-11(9-22-25-12)7-13(14)23-16-15-17(21-10-20-16)29-18(24-15)19(27)26-5-3-2-4-6-26/h7-10H,2-6H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyAUDXHTGDNOKTJE-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.34
Rot. Bonds4

About [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone

[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 78209989) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID78209989
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C19H19N7O2S/c1-28-14-8-12-11(9-22-25-12)7-13(14)23-16-15-17(21-10-20-16)29-18(24-15)19(27)26-5-3-2-4-6-26/h7-10H,2-6H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyAUDXHTGDNOKTJE-UHFFFAOYSA-N
XLogP3.34
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 78209989) is [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12.
What is the InChIKey of [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is AUDXHTGDNOKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-28-14-8-12-11(9-22-25-12)7-13(14)23-16-15-17(21-10-20-16)29-18(24-15)19(27)26-5-3-2-4-6-26/h7-10H,2-6H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 409.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(6-methoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 78209989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).