N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide

C20H27N7O2S — CID 134275390

IUPACN-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide
SMILESCOCCn1cc(Nc2nc(NC3CCC(NC(C)=O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C20H27N7O2S/c1-13(28)22-14-3-5-15(6-4-14)23-19-18-17(7-10-30-18)25-20(26-19)24-16-11-21-27(12-16)8-9-29-2/h7,10-12,14-15H,3-6,8-9H2,1-2H3,(H,22,28)(H2,23,24,25,26)
InChIKeyFSGSIQMOIWNMHK-UHFFFAOYSA-N
MW429.55 g/mol
LogP3.14
Rot. Bonds8

About N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide

N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide (PubChem CID 134275390) has the molecular formula C20H27N7O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide
PubChem CID134275390
Molecular FormulaC20H27N7O2S
Molecular Weight429.55 g/mol
Exact Mass429.19
IUPAC NameN-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide
SMILESCOCCn1cc(Nc2nc(NC3CCC(NC(C)=O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C20H27N7O2S/c1-13(28)22-14-3-5-15(6-4-14)23-19-18-17(7-10-30-18)25-20(26-19)24-16-11-21-27(12-16)8-9-29-2/h7,10-12,14-15H,3-6,8-9H2,1-2H3,(H,22,28)(H2,23,24,25,26)
InChIKeyFSGSIQMOIWNMHK-UHFFFAOYSA-N
XLogP3.14
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide (CID 134275390) is N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide is COCCn1cc(Nc2nc(NC3CCC(NC(C)=O)CC3)c3sccc3n2)cn1.
What is the InChIKey of N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The InChIKey is FSGSIQMOIWNMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2S/c1-13(28)22-14-3-5-15(6-4-14)23-19-18-17(7-10-30-18)25-20(26-19)24-16-11-21-27(12-16)8-9-29-2/h7,10-12,14-15H,3-6,8-9H2,1-2H3,(H,22,28)(H2,23,24,25,26).
What are the key properties of N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide has a molecular weight of 429.55 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 134275390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).