1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C15H23N7O2 — CID 139014359

IUPAC1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2nc(N)nc3c2cnn3C)CC1
InChIInChI=1S/C15H23N7O2/c1-21-12-11(9-18-21)13(20-15(16)19-12)22-6-3-10(4-7-22)14(23)17-5-8-24-2/h9-10H,3-8H2,1-2H3,(H,17,23)(H2,16,19,20)
InChIKeyPOPIHXWBJUNVQY-UHFFFAOYSA-N
MW333.40 g/mol
LogP-0.08
Rot. Bonds5

About 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 139014359) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID139014359
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2nc(N)nc3c2cnn3C)CC1
InChIInChI=1S/C15H23N7O2/c1-21-12-11(9-18-21)13(20-15(16)19-12)22-6-3-10(4-7-22)14(23)17-5-8-24-2/h9-10H,3-8H2,1-2H3,(H,17,23)(H2,16,19,20)
InChIKeyPOPIHXWBJUNVQY-UHFFFAOYSA-N
XLogP-0.08
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16901656
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 87241865
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
tert-butyl (3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-ethylpiperazine-1-carboxylate
CID 140731421
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-(3-methoxypropyl)-1-(4-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165697

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 139014359) is 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2nc(N)nc3c2cnn3C)CC1.
What is the InChIKey of 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is POPIHXWBJUNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-21-12-11(9-18-21)13(20-15(16)19-12)22-6-3-10(4-7-22)14(23)17-5-8-24-2/h9-10H,3-8H2,1-2H3,(H,17,23)(H2,16,19,20).
What are the key properties of 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 139014359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).