2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C25H33N5O3 — CID 46170481

IUPAC2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C25H33N5O3/c1-25(2,3)22-17-23-27-20(18-6-8-19(32-4)9-7-18)16-21(30(23)28-22)24(31)26-10-5-11-29-12-14-33-15-13-29/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)
InChIKeyPVIXQMASRLXNBS-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.15
Rot. Bonds7

About 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46170481) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46170481
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C25H33N5O3/c1-25(2,3)22-17-23-27-20(18-6-8-19(32-4)9-7-18)16-21(30(23)28-22)24(31)26-10-5-11-29-12-14-33-15-13-29/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)
InChIKeyPVIXQMASRLXNBS-UHFFFAOYSA-N
XLogP3.15
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079938
2-tert-butyl-5-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079808
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079914
2-tert-butyl-5-(3-methoxyphenyl)-N-pentylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080003
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
tert-butyl N-[6-[[2-tert-butyl-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]hexyl]carbamate
CID 42882271
N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877537
3-(furan-2-yl)-1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3293826
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4010545
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877602
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3565112
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46170481) is 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)n3nc(C(C)(C)C)cc3n2)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is PVIXQMASRLXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-25(2,3)22-17-23-27-20(18-6-8-19(32-4)9-7-18)16-21(30(23)28-22)24(31)26-10-5-11-29-12-14-33-15-13-29/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31).
What are the key properties of 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46170481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).