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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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).