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

C20H21N7O2S — CID 78323065

IUPAC[7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C20H21N7O2S/c1-2-29-15-9-13-12(10-23-26-13)8-14(15)24-17-16-18(22-11-21-17)30-19(25-16)20(28)27-6-4-3-5-7-27/h8-11H,2-7H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyXXQQLBYIKZQGJQ-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.73
Rot. Bonds5

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

[7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 78323065) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID78323065
Molecular FormulaC20H21N7O2S
Molecular Weight423.50 g/mol
Exact Mass423.15
IUPAC Name[7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C20H21N7O2S/c1-2-29-15-9-13-12(10-23-26-13)8-14(15)24-17-16-18(22-11-21-17)30-19(25-16)20(28)27-6-4-3-5-7-27/h8-11H,2-7H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyXXQQLBYIKZQGJQ-UHFFFAOYSA-N
XLogP3.73
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 78323065) is [7-[(6-ethoxy-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-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone is CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12.
What is the InChIKey of [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is XXQQLBYIKZQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c1-2-29-15-9-13-12(10-23-26-13)8-14(15)24-17-16-18(22-11-21-17)30-19(25-16)20(28)27-6-4-3-5-7-27/h8-11H,2-7H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone?
[7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 423.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(6-ethoxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 78323065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).