[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C18H24N4O3S — CID 99996205

IUPAC[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCn3nc([C@H](O)CO)cc3C2)CC1
InChIInChI=1S/C18H24N4O3S/c23-12-16(24)15-10-14-11-21(7-8-22(14)19-15)13-3-5-20(6-4-13)18(25)17-2-1-9-26-17/h1-2,9-10,13,16,23-24H,3-8,11-12H2/t16-/m1/s1
InChIKeySZOMDHDHQIBUJW-MRXNPFEDSA-N
MW376.48 g/mol
LogP1.09
Rot. Bonds4

About [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 99996205) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID99996205
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCn3nc([C@H](O)CO)cc3C2)CC1
InChIInChI=1S/C18H24N4O3S/c23-12-16(24)15-10-14-11-21(7-8-22(14)19-15)13-3-5-20(6-4-13)18(25)17-2-1-9-26-17/h1-2,9-10,13,16,23-24H,3-8,11-12H2/t16-/m1/s1
InChIKeySZOMDHDHQIBUJW-MRXNPFEDSA-N
XLogP1.09
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[4-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 31134478
[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 83280787
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
CID 137337165
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
(3aS,7aR)-3-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24883080

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 99996205) is [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(N2CCn3nc([C@H](O)CO)cc3C2)CC1.
What is the InChIKey of [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SZOMDHDHQIBUJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O3S/c23-12-16(24)15-10-14-11-21(7-8-22(14)19-15)13-3-5-20(6-4-13)18(25)17-2-1-9-26-17/h1-2,9-10,13,16,23-24H,3-8,11-12H2/t16-/m1/s1.
What are the key properties of [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 376.48 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 99996205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).