[2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone

C26H22N4O4 — CID 155387743

IUPAC[2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone
SMILESCOc1cccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)n3cc4ccccc4c3)n(C)n2)c1
InChIInChI=1S/C26H22N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-15,27,31-32H,1-2H3
InChIKeyKPIQQWCVBBWBPQ-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.89
Rot. Bonds5

About [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone

[2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone (PubChem CID 155387743) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone.

Molecular Properties

Compound Name[2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone
PubChem CID155387743
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Name[2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone
SMILESCOc1cccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)n3cc4ccccc4c3)n(C)n2)c1
InChIInChI=1S/C26H22N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-15,27,31-32H,1-2H3
InChIKeyKPIQQWCVBBWBPQ-UHFFFAOYSA-N
XLogP4.89
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2,4-dihydroxy-6-[[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]methanone
CID 155268949
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]thiadiazole-4-carboxamide
CID 75394492
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 86792973
6-chloro-N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287780
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
3,4-dihydro-1H-isoquinolin-2-yl-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42758731
(4-fluoro-1,3-dihydroisoindol-2-yl)-[2-[[3-(2-fluoro-3-methylphenyl)-1-methylpyrazol-5-yl]amino]-4,6-dihydroxyphenyl]methanone
CID 164620832
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 157012323
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682

Frequently Asked Questions

What is the IUPAC name of [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone?
The IUPAC name of [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone (CID 155387743) is [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone.
What is the SMILES notation for [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone?
The canonical SMILES for [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone is COc1cccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)n3cc4ccccc4c3)n(C)n2)c1.
What is the InChIKey of [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone?
The InChIKey is KPIQQWCVBBWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-29-24(13-21(28-29)16-8-5-9-20(10-16)34-2)27-22-11-19(31)12-23(32)25(22)26(33)30-14-17-6-3-4-7-18(17)15-30/h3-15,27,31-32H,1-2H3.
What are the key properties of [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone?
[2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone has a molecular weight of 454.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dihydroxy-6-[[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]amino]phenyl]-isoindol-2-ylmethanone is sourced from PubChem (CID 155387743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).