4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine

C20H22N6S — CID 53464232

IUPAC4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3scc(-c4ccc5cnn(C)c5c4)c23)CC1
InChIInChI=1S/C20H22N6S/c1-3-25-6-8-26(9-7-25)19-18-16(12-27-20(18)22-13-21-19)14-4-5-15-11-23-24(2)17(15)10-14/h4-5,10-13H,3,6-9H2,1-2H3
InChIKeyNMZQYHGFZYYRNV-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.39
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine

4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine (PubChem CID 53464232) has the molecular formula C20H22N6S and a molecular weight of 378.51 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine
PubChem CID53464232
Molecular FormulaC20H22N6S
Molecular Weight378.51 g/mol
Exact Mass378.16
IUPAC Name4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3scc(-c4ccc5cnn(C)c5c4)c23)CC1
InChIInChI=1S/C20H22N6S/c1-3-25-6-8-26(9-7-25)19-18-16(12-27-20(18)22-13-21-19)14-4-5-15-11-23-24(2)17(15)10-14/h4-5,10-13H,3,6-9H2,1-2H3
InChIKeyNMZQYHGFZYYRNV-UHFFFAOYSA-N
XLogP3.39
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine (CID 53464232) is 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine is CCN1CCN(c2ncnc3scc(-c4ccc5cnn(C)c5c4)c23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine?
The InChIKey is NMZQYHGFZYYRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6S/c1-3-25-6-8-26(9-7-25)19-18-16(12-27-20(18)22-13-21-19)14-4-5-15-11-23-24(2)17(15)10-14/h4-5,10-13H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine?
4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine has a molecular weight of 378.51 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-5-(1-methylindazol-6-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 53464232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).