4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

C18H20N6OS — CID 136514406

IUPAC4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C18H20N6OS/c25-18(12-2-1-3-14-13(12)10-21-22-14)24-7-5-23(6-8-24)17-16-15(4-9-26-16)19-11-20-17/h4,9-12H,1-3,5-8H2,(H,21,22)
InChIKeyHPECMOKDNIQUEI-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.18
Rot. Bonds2

About 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone

4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 136514406) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID136514406
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C18H20N6OS/c25-18(12-2-1-3-14-13(12)10-21-22-14)24-7-5-23(6-8-24)17-16-15(4-9-26-16)19-11-20-17/h4,9-12H,1-3,5-8H2,(H,21,22)
InChIKeyHPECMOKDNIQUEI-UHFFFAOYSA-N
XLogP2.18
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone (CID 136514406) is 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone is O=C(C1CCCc2[nH]ncc21)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is HPECMOKDNIQUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18(12-2-1-3-14-13(12)10-21-22-14)24-7-5-23(6-8-24)17-16-15(4-9-26-16)19-11-20-17/h4,9-12H,1-3,5-8H2,(H,21,22).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 368.47 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-4-yl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 136514406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).