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

C21H23N7O2S — CID 78323066

IUPACpiperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone
SMILESCC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C21H23N7O2S/c1-12(2)30-16-9-14-13(10-24-27-14)8-15(16)25-18-17-19(23-11-22-18)31-20(26-17)21(29)28-6-4-3-5-7-28/h8-12H,3-7H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyIWFOIBXHQBGDSE-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.12
Rot. Bonds5

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

piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone (PubChem CID 78323066) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone
PubChem CID78323066
Molecular FormulaC21H23N7O2S
Molecular Weight437.53 g/mol
Exact Mass437.16
IUPAC Namepiperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone
SMILESCC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C21H23N7O2S/c1-12(2)30-16-9-14-13(10-24-27-14)8-15(16)25-18-17-19(23-11-22-18)31-20(26-17)21(29)28-6-4-3-5-7-28/h8-12H,3-7H2,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyIWFOIBXHQBGDSE-UHFFFAOYSA-N
XLogP4.12
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone (CID 78323066) is piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone is CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N3CCCCC3)nc12.
What is the InChIKey of piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
The InChIKey is IWFOIBXHQBGDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-12(2)30-16-9-14-13(10-24-27-14)8-15(16)25-18-17-19(23-11-22-18)31-20(26-17)21(29)28-6-4-3-5-7-28/h8-12H,3-7H2,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone?
piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone has a molecular weight of 437.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[7-[(6-propan-2-yloxy-1H-indazol-5-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanone is sourced from PubChem (CID 78323066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).