[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C17H20N4O2S — CID 91629488

IUPAC[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N4O2S/c22-16(14-12-13-4-1-2-6-21(13)18-14)19-7-9-20(10-8-19)17(23)15-5-3-11-24-15/h3,5,11-12H,1-2,4,6-10H2
InChIKeyIUUXKFXBYZMVRT-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.88
Rot. Bonds2

About [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 91629488) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID91629488
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N4O2S/c22-16(14-12-13-4-1-2-6-21(13)18-14)19-7-9-20(10-8-19)17(23)15-5-3-11-24-15/h3,5,11-12H,1-2,4,6-10H2
InChIKeyIUUXKFXBYZMVRT-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
[2-(3-chlorophenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-2-ylmethanone
CID 53165105
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 91629488) is [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cc2n(n1)CCCC2)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is IUUXKFXBYZMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(14-12-13-4-1-2-6-21(13)18-14)19-7-9-20(10-8-19)17(23)15-5-3-11-24-15/h3,5,11-12H,1-2,4,6-10H2.
What are the key properties of [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 344.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91629488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).