[3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C19H21N5O2 — CID 24816834

IUPAC[3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cc4ncccn4n3)C2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-16-7-5-14(6-8-16)21-15-4-2-10-23(13-15)19(25)17-12-18-20-9-3-11-24(18)22-17/h3,5-9,11-12,15,21H,2,4,10,13H2,1H3
InChIKeyNWFNACIMQCUFLR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.45
Rot. Bonds4

About [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

[3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 24816834) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID24816834
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCOc1ccc(NC2CCCN(C(=O)c3cc4ncccn4n3)C2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-16-7-5-14(6-8-16)21-15-4-2-10-23(13-15)19(25)17-12-18-20-9-3-11-24(18)22-17/h3,5-9,11-12,15,21H,2,4,10,13H2,1H3
InChIKeyNWFNACIMQCUFLR-UHFFFAOYSA-N
XLogP2.45
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
n-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,5-dimethyl-1h-pyrazole-3-carboxamide
CID 57505514
US10774086, Example 24
CID 139465947
4-(azetidine-1-carbonyl)-N-[2-[2-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414866
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
N-(3-fluoro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907765
N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-5-methyl-1-phenyl-1H-pyrazole-3-carboxamide
CID 57505462

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 24816834) is [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is COc1ccc(NC2CCCN(C(=O)c3cc4ncccn4n3)C2)cc1.
What is the InChIKey of [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is NWFNACIMQCUFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-16-7-5-14(6-8-16)21-15-4-2-10-23(13-15)19(25)17-12-18-20-9-3-11-24(18)22-17/h3,5-9,11-12,15,21H,2,4,10,13H2,1H3.
What are the key properties of [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
[3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyanilino)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 24816834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).