[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

C17H24N6O2 — CID 50985177

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3cc4ncc(CCO)cn4n3)CC2C1
InChIInChI=1S/C17H24N6O2/c1-20-3-4-21-5-6-22(12-14(21)11-20)17(25)15-8-16-18-9-13(2-7-24)10-23(16)19-15/h8-10,14,24H,2-7,11-12H2,1H3
InChIKeyGZPDTUKSYYMRPK-UHFFFAOYSA-N
MW344.42 g/mol
LogP-0.66
Rot. Bonds3

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (PubChem CID 50985177) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
PubChem CID50985177
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3cc4ncc(CCO)cn4n3)CC2C1
InChIInChI=1S/C17H24N6O2/c1-20-3-4-21-5-6-22(12-14(21)11-20)17(25)15-8-16-18-9-13(2-7-24)10-23(16)19-15/h8-10,14,24H,2-7,11-12H2,1H3
InChIKeyGZPDTUKSYYMRPK-UHFFFAOYSA-N
XLogP-0.66
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone with MolForge

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Related Compounds

2-{3-[(8-methyloctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}ethanol
CID 50962046
2-[(4-Pyrimidin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 74233841
(9aS)-2-(3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95137677
[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 125515590
[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 164632357
Ethane;[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 142410174
6-(2-Hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 121511078
8-[(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50976197
6-(2-hydroxyethyl)-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56759726
2-{2-[(3-Propylmorpholin-4-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}ethanol
CID 56868173
1'-(Pyrazolo[1,5-a]pyrimidin-2-ylcarbonyl)-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56880343
N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628487

Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (CID 50985177) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is CN1CCN2CCN(C(=O)c3cc4ncc(CCO)cn4n3)CC2C1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is GZPDTUKSYYMRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-20-3-4-21-5-6-22(12-14(21)11-20)17(25)15-8-16-18-9-13(2-7-24)10-23(16)19-15/h8-10,14,24H,2-7,11-12H2,1H3.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50985177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).