1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C26H34N6O3 — CID 50821899

IUPAC1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCCN5CCOCC5)CC4)n3n2)cc1
InChIInChI=1S/C26H34N6O3/c1-19-17-25(32-24(28-19)18-23(29-32)20-3-5-22(34-2)6-4-20)31-10-7-21(8-11-31)26(33)27-9-12-30-13-15-35-16-14-30/h3-6,17-18,21H,7-16H2,1-2H3,(H,27,33)
InChIKeyVKPWKDRWNIMCKB-UHFFFAOYSA-N
MW478.60 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 50821899) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID50821899
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCCN5CCOCC5)CC4)n3n2)cc1
InChIInChI=1S/C26H34N6O3/c1-19-17-25(32-24(28-19)18-23(29-32)20-3-5-22(34-2)6-4-20)31-10-7-21(8-11-31)26(33)27-9-12-30-13-15-35-16-14-30/h3-6,17-18,21H,7-16H2,1-2H3,(H,27,33)
InChIKeyVKPWKDRWNIMCKB-UHFFFAOYSA-N
XLogP2.38
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(3,5-dimethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50821797
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821900
N-(2-methoxyethyl)-1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 50822103
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 50822054
N-(2-ethyl-6-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378529
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46378530
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 50821927
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
N-[2-(cyclohexen-1-yl)ethyl]-1-[5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378454
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46378501
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46378481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 50821899) is 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is COc1ccc(-c2cc3nc(C)cc(N4CCC(C(=O)NCCN5CCOCC5)CC4)n3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is VKPWKDRWNIMCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-19-17-25(32-24(28-19)18-23(29-32)20-3-5-22(34-2)6-4-20)31-10-7-21(8-11-31)26(33)27-9-12-30-13-15-35-16-14-30/h3-6,17-18,21H,7-16H2,1-2H3,(H,27,33).
What are the key properties of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 50821899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).