[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone

C43H44N6O8 — CID 71466691

IUPAC[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone
SMILESCOc1cc(CNc2ccccc2C(=O)N2CCN(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C43H44N6O8/c1-52-35-20-27(21-36(53-2)40(35)56-5)26-44-31-15-11-10-14-30(31)42(50)47-16-18-48(19-17-47)43(51)33-24-34(29-22-37(54-3)41(57-6)38(23-29)55-4)49-39(45-33)25-32(46-49)28-12-8-7-9-13-28/h7-15,20-25,44H,16-19,26H2,1-6H3
InChIKeyOUHCGIVODQEAOU-UHFFFAOYSA-N
MW772.86 g/mol
LogP6.33
Rot. Bonds13

About [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone

[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone (PubChem CID 71466691) has the molecular formula C43H44N6O8 and a molecular weight of 772.86 g/mol. Its IUPAC name is [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone.

Molecular Properties

Compound Name[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone
PubChem CID71466691
Molecular FormulaC43H44N6O8
Molecular Weight772.86 g/mol
Exact Mass772.32
IUPAC Name[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone
SMILESCOc1cc(CNc2ccccc2C(=O)N2CCN(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C43H44N6O8/c1-52-35-20-27(21-36(53-2)40(35)56-5)26-44-31-15-11-10-14-30(31)42(50)47-16-18-48(19-17-47)43(51)33-24-34(29-22-37(54-3)41(57-6)38(23-29)55-4)49-39(45-33)25-32(46-49)28-12-8-7-9-13-28/h7-15,20-25,44H,16-19,26H2,1-6H3
InChIKeyOUHCGIVODQEAOU-UHFFFAOYSA-N
XLogP6.33
TPSA138.22 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500772.86
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone with MolForge

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Related Compounds

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]benzamide
CID 135217206
CFTR activator 1
CID 163264127
5-(3,4-Dimethoxyphenyl)-2-(1-piperidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1370112
4-phenethyl-1-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
CID 12006037
N-(2-acetylphenyl)-3-[2-(2,4-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008599
N-[(4-fluorophenyl)methyl]-3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16033390
2-[[4-Amino-3-(3,4-dimethoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-fluoro-3-(2-methylphenyl)quinazolin-4-one
CID 145984847
N-[(Adamantan-1-YL)methyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 4241823
5,7-diphenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1257799
5-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1371904
N-benzyl-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237135
6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341

Frequently Asked Questions

What is the IUPAC name of [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone?
The IUPAC name of [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone (CID 71466691) is [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone.
What is the SMILES notation for [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone?
The canonical SMILES for [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone is COc1cc(CNc2ccccc2C(=O)N2CCN(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone?
The InChIKey is OUHCGIVODQEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N6O8/c1-52-35-20-27(21-36(53-2)40(35)56-5)26-44-31-15-11-10-14-30(31)42(50)47-16-18-48(19-17-47)43(51)33-24-34(29-22-37(54-3)41(57-6)38(23-29)55-4)49-39(45-33)25-32(46-49)28-12-8-7-9-13-28/h7-15,20-25,44H,16-19,26H2,1-6H3.
What are the key properties of [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone?
[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone has a molecular weight of 772.86 g/mol, XLogP of 6.33, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-[(3,4,5-trimethoxyphenyl)methylamino]phenyl]methanone is sourced from PubChem (CID 71466691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).