ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate

C26H32N4O4 — CID 42877225

IUPACethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3OC)n3nc(C(C)(C)C)cc3n2)CC1
InChIInChI=1S/C26H32N4O4/c1-6-34-25(32)17-11-13-29(14-12-17)24(31)19-15-20(18-9-7-8-10-21(18)33-5)30-23(27-19)16-22(28-30)26(2,3)4/h7-10,15-17H,6,11-14H2,1-5H3
InChIKeyOMTOTFMKWRFMFW-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.12
Rot. Bonds5

About ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate (PubChem CID 42877225) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
PubChem CID42877225
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Nameethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3OC)n3nc(C(C)(C)C)cc3n2)CC1
InChIInChI=1S/C26H32N4O4/c1-6-34-25(32)17-11-13-29(14-12-17)24(31)19-15-20(18-9-7-8-10-21(18)33-5)30-23(27-19)16-22(28-30)26(2,3)4/h7-10,15-17H,6,11-14H2,1-5H3
InChIKeyOMTOTFMKWRFMFW-UHFFFAOYSA-N
XLogP4.12
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[2-tert-butyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 46079504
[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46079513
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
2-tert-butyl-7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079587
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
3-[1-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46079696
[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42877208

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate (CID 42877225) is ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(-c3ccccc3OC)n3nc(C(C)(C)C)cc3n2)CC1.
What is the InChIKey of ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is OMTOTFMKWRFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-6-34-25(32)17-11-13-29(14-12-17)24(31)19-15-20(18-9-7-8-10-21(18)33-5)30-23(27-19)16-22(28-30)26(2,3)4/h7-10,15-17H,6,11-14H2,1-5H3.
What are the key properties of ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42877225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).