furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

C23H23N5O3 — CID 44607587

IUPACfuran-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1
InChIInChI=1S/C23H23N5O3/c1-16-13-22(26-8-10-27(11-9-26)23(29)18-7-12-31-15-18)28-21(24-16)14-20(25-28)17-3-5-19(30-2)6-4-17/h3-7,12-15H,8-11H2,1-2H3
InChIKeyDPBQFUHCNDIONU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.27
Rot. Bonds4

About furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 44607587) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID44607587
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Namefuran-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1
InChIInChI=1S/C23H23N5O3/c1-16-13-22(26-8-10-27(11-9-26)23(29)18-7-12-31-15-18)28-21(24-16)14-20(25-28)17-3-5-19(30-2)6-4-17/h3-7,12-15H,8-11H2,1-2H3
InChIKeyDPBQFUHCNDIONU-UHFFFAOYSA-N
XLogP3.27
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 24895172
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
CID 44640177
2-(2-(4-(3-fluoropropoxy)phenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 24895170
2-{2-[4-(Cyclobutyloxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-N,N-diethylacetamide
CID 70495740
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
2-(5,7-diethyl-2-(4-(2-fluoroethoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625548
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1046563
3,4-dihydroisoquinolin-2(1H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1164916
7-(Difluoromethyl)-3-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 2169042
5-(3,4-dimethoxyphenyl)-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4431057

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 44607587) is furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1.
What is the InChIKey of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is DPBQFUHCNDIONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-16-13-22(26-8-10-27(11-9-26)23(29)18-7-12-31-15-18)28-21(24-16)14-20(25-28)17-3-5-19(30-2)6-4-17/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 417.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44607587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).