tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride

C73H92ClF9N12O10 — CID 162294283

IUPACtert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C4=CC(C)N(C(=O)OC(C)(C)C)CC4)cc3n2)cc1OC.COc1ccc(C2CC(C(F)(F)F)n3nc(C4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3N2)cc1OC.COc1ccc(C2CC(C(F)(F)F)n3nc(C4CCNC(C)C4)cc3N2)cc1OC.Cl
InChIInChI=1S/C26H35F3N4O4.C26H29F3N4O4.C21H27F3N4O2.ClH/c2*1-15-11-17(9-10-32(15)24(34)37-25(2,3)4)19-14-23-30-18(13-22(26(27,28)29)33(23)31-19)16-7-8-20(35-5)21(12-16)36-6;1-12-8-14(6-7-25-12)16-11-20-26-15(10-19(21(22,23)24)28(20)27-16)13-4-5-17(29-2)18(9-13)30-3;/h7-8,12,14-15,17-18,22,30H,9-11,13H2,1-6H3;7-8,11-15H,9-10H2,1-6H3;4-5,9,11-12,14-15,19,25-26H,6-8,10H2,1-3H3;1H
InChIKeyGVKJCCNZHPRMAG-UHFFFAOYSA-N
MW1504.05 g/mol
LogP16.75
Rot. Bonds12

About tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride

tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 162294283) has the molecular formula C73H92ClF9N12O10 and a molecular weight of 1504.05 g/mol. Its IUPAC name is tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride
PubChem CID162294283
Molecular FormulaC73H92ClF9N12O10
Molecular Weight1504.05 g/mol
Exact Mass1502.66
IUPAC Nametert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C4=CC(C)N(C(=O)OC(C)(C)C)CC4)cc3n2)cc1OC.COc1ccc(C2CC(C(F)(F)F)n3nc(C4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3N2)cc1OC.COc1ccc(C2CC(C(F)(F)F)n3nc(C4CCNC(C)C4)cc3N2)cc1OC.Cl
InChIInChI=1S/C26H35F3N4O4.C26H29F3N4O4.C21H27F3N4O2.ClH/c2*1-15-11-17(9-10-32(15)24(34)37-25(2,3)4)19-14-23-30-18(13-22(26(27,28)29)33(23)31-19)16-7-8-20(35-5)21(12-16)36-6;1-12-8-14(6-7-25-12)16-11-20-26-15(10-19(21(22,23)24)28(20)27-16)13-4-5-17(29-2)18(9-13)30-3;/h7-8,12,14-15,17-18,22,30H,9-11,13H2,1-6H3;7-8,11-15H,9-10H2,1-6H3;4-5,9,11-12,14-15,19,25-26H,6-8,10H2,1-3H3;1H
InChIKeyGVKJCCNZHPRMAG-UHFFFAOYSA-N
XLogP16.75
TPSA216.38 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.05
LogP ≤ 516.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride 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

Tert-butyl 4-(5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)-2-methyl-5,6-dihydropyridine-1(2H)-carboxylate
CID 86704178
tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90025835
2,4-Dimethylhexan-2-yl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate
CID 123640872
1-[4-[3-[3-(Difluoromethoxy)-4-methoxyphenyl]-7-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]ethanone
CID 135357031
Tert-butyl 3-[[5-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-pyridinyl]methylamino]piperidine-1-carboxylate
CID 136492821
Tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate
CID 140622517
tert-butyl N-[5-(4-acetylpiperazin-1-yl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]carbamate
CID 140927980
tert-butyl 4-[5-[[(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 141496828
Tert-butyl 4-[5-[[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methyl]pyridin-2-yl]piperazine-1-carboxylate
CID 141496830
tert-butyl 4-[5-[[(5R,7S)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 141496832
Tert-butyl 4-[4-[[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methyl]pyridin-2-yl]piperazine-1-carboxylate
CID 141496833
2,2-bis[4-[(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-fluorophenyl]piperazine-1-carbaldehyde;hydrochloride
CID 142767492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride?
The IUPAC name of tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride (CID 162294283) is tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride.
What is the SMILES notation for tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride?
The canonical SMILES for tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride is COc1ccc(-c2cc(C(F)(F)F)n3nc(C4=CC(C)N(C(=O)OC(C)(C)C)CC4)cc3n2)cc1OC.COc1ccc(C2CC(C(F)(F)F)n3nc(C4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3N2)cc1OC.COc1ccc(C2CC(C(F)(F)F)n3nc(C4CCNC(C)C4)cc3N2)cc1OC.Cl.
What is the InChIKey of tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride?
The InChIKey is GVKJCCNZHPRMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N4O4.C26H29F3N4O4.C21H27F3N4O2.ClH/c2*1-15-11-17(9-10-32(15)24(34)37-25(2,3)4)19-14-23-30-18(13-22(26(27,28)29)33(23)31-19)16-7-8-20(35-5)21(12-16)36-6;1-12-8-14(6-7-25-12)16-11-20-26-15(10-19(21(22,23)24)28(20)27-16)13-4-5-17(29-2)18(9-13)30-3;/h7-8,12,14-15,17-18,22,30H,9-11,13H2,1-6H3;7-8,11-15H,9-10H2,1-6H3;4-5,9,11-12,14-15,19,25-26H,6-8,10H2,1-3H3;1H.
What are the key properties of tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride?
tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 1504.05 g/mol, XLogP of 16.75, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-2-methylpiperidine-1-carboxylate;5-(3,4-dimethoxyphenyl)-2-(2-methylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;hydrochloride is sourced from PubChem (CID 162294283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).