N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide

C22H27N5O2 — CID 50822103

IUPACN-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C22H27N5O2/c1-16-14-21(26-11-8-18(9-12-26)22(28)23-10-13-29-2)27-20(24-16)15-19(25-27)17-6-4-3-5-7-17/h3-7,14-15,18H,8-13H2,1-2H3,(H,23,28)
InChIKeyRMGHHWCPXAHDBS-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.68
Rot. Bonds6

About N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide (PubChem CID 50822103) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
PubChem CID50822103
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C22H27N5O2/c1-16-14-21(26-11-8-18(9-12-26)22(28)23-10-13-29-2)27-20(24-16)15-19(25-27)17-6-4-3-5-7-17/h3-7,14-15,18H,8-13H2,1-2H3,(H,23,28)
InChIKeyRMGHHWCPXAHDBS-UHFFFAOYSA-N
XLogP2.68
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sitokiren
CID 117877477
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-{6-[(2-methoxyethyl)(methyl)amino]pyridin-2-yl}pyrimidin-4-yl]acetamide
CID 25074004
Pyrazolo pyrimidine, 15
CID 44233162
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606304
3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[2-(morpholin-4-yl)pyridin-4-yl]pyrimidin-4-yl]acetamide
CID 25138085

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide (CID 50822103) is N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
The InChIKey is RMGHHWCPXAHDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-14-21(26-11-8-18(9-12-26)22(28)23-10-13-29-2)27-20(24-16)15-19(25-27)17-6-4-3-5-7-17/h3-7,14-15,18H,8-13H2,1-2H3,(H,23,28).
What are the key properties of N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50822103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).