(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

C17H26N6O3 — CID 95716543

IUPAC(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOCc1nc(N2CCC[C@@H](C(=O)NCCCO)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6O3/c1-22-15-13(9-19-22)16(21-14(20-15)11-26-2)23-7-3-5-12(10-23)17(25)18-6-4-8-24/h9,12,24H,3-8,10-11H2,1-2H3,(H,18,25)/t12-/m1/s1
InChIKeyWTYOGCKBLDMXCQ-GFCCVEGCSA-N
MW362.43 g/mol
LogP0.22
Rot. Bonds7

About (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 95716543) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID95716543
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOCc1nc(N2CCC[C@@H](C(=O)NCCCO)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6O3/c1-22-15-13(9-19-22)16(21-14(20-15)11-26-2)23-7-3-5-12(10-23)17(25)18-6-4-8-24/h9,12,24H,3-8,10-11H2,1-2H3,(H,18,25)/t12-/m1/s1
InChIKeyWTYOGCKBLDMXCQ-GFCCVEGCSA-N
XLogP0.22
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 139014359
[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 95711494
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 103197437
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115533
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56885738
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide (CID 95716543) is (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide is COCc1nc(N2CCC[C@@H](C(=O)NCCCO)C2)c2cnn(C)c2n1.
What is the InChIKey of (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is WTYOGCKBLDMXCQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-22-15-13(9-19-22)16(21-14(20-15)11-26-2)23-7-3-5-12(10-23)17(25)18-6-4-8-24/h9,12,24H,3-8,10-11H2,1-2H3,(H,18,25)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide?
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95716543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).