1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one

C18H20N6OS — CID 133354927

IUPAC1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one
SMILESO=C(CCNc1ccnc2ccsc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20N6OS/c25-16(3-8-20-14-2-7-19-15-4-13-26-17(14)15)23-9-11-24(12-10-23)18-21-5-1-6-22-18/h1-2,4-7,13H,3,8-12H2,(H,19,20)
InChIKeyTVGHLTAGIZLMCA-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one

1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one (PubChem CID 133354927) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one
PubChem CID133354927
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one
SMILESO=C(CCNc1ccnc2ccsc12)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H20N6OS/c25-16(3-8-20-14-2-7-19-15-4-13-26-17(14)15)23-9-11-24(12-10-23)18-21-5-1-6-22-18/h1-2,4-7,13H,3,8-12H2,(H,19,20)
InChIKeyTVGHLTAGIZLMCA-UHFFFAOYSA-N
XLogP2.24
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one with MolForge

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Related Compounds

3-(2-chloroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030439
3-(3-chloro-2-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030442
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 133285473
3-(2-methyl-4-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 133354892
3-(3-fluoroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030474
3-(4-propan-2-ylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030431
3-(4-methoxyanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030451
3-[(6-chloroquinolin-4-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133359580
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
3-(furan-2-ylmethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 56823440
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030478

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one?
The IUPAC name of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one (CID 133354927) is 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one.
What is the SMILES notation for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one?
The canonical SMILES for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one is O=C(CCNc1ccnc2ccsc12)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one?
The InChIKey is TVGHLTAGIZLMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-16(3-8-20-14-2-7-19-15-4-13-26-17(14)15)23-9-11-24(12-10-23)18-21-5-1-6-22-18/h1-2,4-7,13H,3,8-12H2,(H,19,20).
What are the key properties of 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one?
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one has a molecular weight of 368.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(thieno[3,2-b]pyridin-7-ylamino)propan-1-one is sourced from PubChem (CID 133354927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).