4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide

C17H18N6OS — CID 175856538

IUPAC4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(Nc2nc(C3=CCC(C(N)=O)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C17H18N6OS/c1-9-8-13(23-22-9)20-17-14-12(6-7-25-14)19-16(21-17)11-4-2-10(3-5-11)15(18)24/h4,6-8,10H,2-3,5H2,1H3,(H2,18,24)(H2,19,20,21,22,23)
InChIKeyOJIPCUDWXLQWIP-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.14
Rot. Bonds4

About 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide

4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 175856538) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide
PubChem CID175856538
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(Nc2nc(C3=CCC(C(N)=O)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C17H18N6OS/c1-9-8-13(23-22-9)20-17-14-12(6-7-25-14)19-16(21-17)11-4-2-10(3-5-11)15(18)24/h4,6-8,10H,2-3,5H2,1H3,(H2,18,24)(H2,19,20,21,22,23)
InChIKeyOJIPCUDWXLQWIP-UHFFFAOYSA-N
XLogP3.14
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide (CID 175856538) is 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide is Cc1cc(Nc2nc(C3=CCC(C(N)=O)CC3)nc3ccsc23)n[nH]1.
What is the InChIKey of 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OJIPCUDWXLQWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-9-8-13(23-22-9)20-17-14-12(6-7-25-14)19-16(21-17)11-4-2-10(3-5-11)15(18)24/h4,6-8,10H,2-3,5H2,1H3,(H2,18,24)(H2,19,20,21,22,23).
What are the key properties of 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide?
4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 175856538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).