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

C28H25N5O3 — CID 44968166

IUPACfuran-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1
InChIInChI=1S/C28H25N5O3/c1-35-22-10-5-9-21(17-22)24-18-26-29-23(20-7-3-2-4-8-20)19-27(33(26)30-24)31-12-14-32(15-13-31)28(34)25-11-6-16-36-25/h2-11,16-19H,12-15H2,1H3
InChIKeyDCNPZXSAYCIWSI-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.63
Rot. Bonds5

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

furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (PubChem CID 44968166) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
PubChem CID44968166
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Namefuran-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1
InChIInChI=1S/C28H25N5O3/c1-35-22-10-5-9-21(17-22)24-18-26-29-23(20-7-3-2-4-8-20)19-27(33(26)30-24)31-12-14-32(15-13-31)28(34)25-11-6-16-36-25/h2-11,16-19H,12-15H2,1H3
InChIKeyDCNPZXSAYCIWSI-UHFFFAOYSA-N
XLogP4.63
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
furan-2-yl-[4-(6-methoxy-2-phenylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 154772613
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440837
2-(3-methoxyphenyl)-7-[(2S)-2-methylpiperidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440817
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
[4-[2-(3-chlorophenyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 44629742
(4-benzylpiperazin-1-yl)-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 46079983
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 40503680
7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3230076

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone (CID 44968166) is furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccco5)CC4)n3n2)c1.
What is the InChIKey of furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
The InChIKey is DCNPZXSAYCIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-35-22-10-5-9-21(17-22)24-18-26-29-23(20-7-3-2-4-8-20)19-27(33(26)30-24)31-12-14-32(15-13-31)28(34)25-11-6-16-36-25/h2-11,16-19H,12-15H2,1H3.
What are the key properties of furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone has a molecular weight of 479.54 g/mol, XLogP of 4.63, 5 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-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 44968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).