2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H20N6O2S — CID 42951703

IUPAC2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nnsc1C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C18H20N6O2S/c1-2-14-17(27-21-20-14)18(26)23-9-7-22(8-10-23)12-13-11-16(25)24-6-4-3-5-15(24)19-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyDQKKPKSKJZROBE-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.07
Rot. Bonds4

About 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42951703) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42951703
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nnsc1C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C18H20N6O2S/c1-2-14-17(27-21-20-14)18(26)23-9-7-22(8-10-23)12-13-11-16(25)24-6-4-3-5-15(24)19-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyDQKKPKSKJZROBE-UHFFFAOYSA-N
XLogP1.07
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42951703) is 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CCc1nnsc1C(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DQKKPKSKJZROBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-2-14-17(27-21-20-14)18(26)23-9-7-22(8-10-23)12-13-11-16(25)24-6-4-3-5-15(24)19-13/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 384.47 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42951703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).