[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone

C16H22N6O3 — CID 86774053

IUPAC[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncnc3c2cnn3CCO)CC1
InChIInChI=1S/C16H22N6O3/c23-8-7-22-15-12(10-19-22)14(17-11-18-15)20-3-5-21(6-4-20)16(24)13-2-1-9-25-13/h10-11,13,23H,1-9H2
InChIKeyLRPIUOPMEFWSAM-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.35
Rot. Bonds4

About [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 86774053) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID86774053
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncnc3c2cnn3CCO)CC1
InChIInChI=1S/C16H22N6O3/c23-8-7-22-15-12(10-19-22)14(17-11-18-15)20-3-5-21(6-4-20)16(24)13-2-1-9-25-13/h10-11,13,23H,1-9H2
InChIKeyLRPIUOPMEFWSAM-UHFFFAOYSA-N
XLogP-0.35
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95715130
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 27545812
4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 42099679
(3S)-1-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 95137868
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 99793887
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774237
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
[4-(3-amino-5-chloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 83970308

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 86774053) is [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ncnc3c2cnn3CCO)CC1.
What is the InChIKey of [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is LRPIUOPMEFWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c23-8-7-22-15-12(10-19-22)14(17-11-18-15)20-3-5-21(6-4-20)16(24)13-2-1-9-25-13/h10-11,13,23H,1-9H2.
What are the key properties of [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 346.39 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 86774053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).