[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone

C28H27N5O2S — CID 46384029

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc4c(-c5cccs5)nn(-c5ccccc5)c4n3C)CC2)c1
InChIInChI=1S/C28H27N5O2S/c1-30-24(28(34)32-15-13-31(14-16-32)21-10-6-11-22(18-21)35-2)19-23-26(25-12-7-17-36-25)29-33(27(23)30)20-8-4-3-5-9-20/h3-12,17-19H,13-16H2,1-2H3
InChIKeyPGOUMTRQZPSNBQ-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.06
Rot. Bonds5

About [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone

[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone (PubChem CID 46384029) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone
PubChem CID46384029
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc4c(-c5cccs5)nn(-c5ccccc5)c4n3C)CC2)c1
InChIInChI=1S/C28H27N5O2S/c1-30-24(28(34)32-15-13-31(14-16-32)21-10-6-11-22(18-21)35-2)19-23-26(25-12-7-17-36-25)29-33(27(23)30)20-8-4-3-5-9-20/h3-12,17-19H,13-16H2,1-2H3
InChIKeyPGOUMTRQZPSNBQ-UHFFFAOYSA-N
XLogP5.06
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 46384026
[4-(3-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 31912909
6-methyl-1-phenyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 92895706
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
1-phenyl-6-prop-2-enyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxylic acid
CID 38997207
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 5121699
[4-(3-methoxyphenyl)piperazin-1-yl]-(9-methyl-1-phenylpyrido[3,4-b]indol-3-yl)methanone
CID 118727430
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone (CID 46384029) is [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone is COc1cccc(N2CCN(C(=O)c3cc4c(-c5cccs5)nn(-c5ccccc5)c4n3C)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone?
The InChIKey is PGOUMTRQZPSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-30-24(28(34)32-15-13-31(14-16-32)21-10-6-11-22(18-21)35-2)19-23-26(25-12-7-17-36-25)29-33(27(23)30)20-8-4-3-5-9-20/h3-12,17-19H,13-16H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone has a molecular weight of 497.62 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 46384029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).