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

C18H24N6O2 — CID 99973656

IUPAC[4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESC[C@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3cnccn3)CC1)C2
InChIInChI=1S/C18H24N6O2/c1-13(25)16-10-15-12-23(8-9-24(15)21-16)14-2-6-22(7-3-14)18(26)17-11-19-4-5-20-17/h4-5,10-11,13-14,25H,2-3,6-9,12H2,1H3/t13-/m0/s1
InChIKeyALINTNCSTUAVKS-ZDUSSCGKSA-N
MW356.43 g/mol
LogP0.85
Rot. Bonds3

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

[4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 99973656) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID99973656
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name[4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESC[C@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3cnccn3)CC1)C2
InChIInChI=1S/C18H24N6O2/c1-13(25)16-10-15-12-23(8-9-24(15)21-16)14-2-6-22(7-3-14)18(26)17-11-19-4-5-20-17/h4-5,10-11,13-14,25H,2-3,6-9,12H2,1H3/t13-/m0/s1
InChIKeyALINTNCSTUAVKS-ZDUSSCGKSA-N
XLogP0.85
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
[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
[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56755933
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 126436258
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
[4-[1-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56704132
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[4-[(4-methoxycyclohexyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 165419586
1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110743774
[4-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 131905619
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 99973656) is [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is C[C@H](O)c1cc2n(n1)CCN(C1CCN(C(=O)c3cnccn3)CC1)C2.
What is the InChIKey of [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ALINTNCSTUAVKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(25)16-10-15-12-23(8-9-24(15)21-16)14-2-6-22(7-3-14)18(26)17-11-19-4-5-20-17/h4-5,10-11,13-14,25H,2-3,6-9,12H2,1H3/t13-/m0/s1.
What are the key properties of [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 99973656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).