furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

C24H25N5O3 — CID 45281173

IUPACfuran-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc3nc(C)c(C)c(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1
InChIInChI=1S/C24H25N5O3/c1-16-17(2)25-22-15-20(18-6-4-7-19(14-18)31-3)26-29(22)23(16)27-9-11-28(12-10-27)24(30)21-8-5-13-32-21/h4-8,13-15H,9-12H2,1-3H3
InChIKeyUITMTVRSXHAGKD-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.58
Rot. Bonds4

About furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 45281173) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID45281173
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Namefuran-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc3nc(C)c(C)c(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1
InChIInChI=1S/C24H25N5O3/c1-16-17(2)25-22-15-20(18-6-4-7-19(14-18)31-3)26-29(22)23(16)27-9-11-28(12-10-27)24(30)21-8-5-13-32-21/h4-8,13-15H,9-12H2,1-3H3
InChIKeyUITMTVRSXHAGKD-UHFFFAOYSA-N
XLogP3.58
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 45281173) is furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1.
What is the InChIKey of furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is UITMTVRSXHAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-17(2)25-22-15-20(18-6-4-7-19(14-18)31-3)26-29(22)23(16)27-9-11-28(12-10-27)24(30)21-8-5-13-32-21/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 45281173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).