[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone

C26H21N3O3 — CID 54583044

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)o2)cc1
InChIInChI=1S/C26H21N3O3/c1-17-8-10-18(11-9-17)24-12-13-25(32-24)26(31)29-22(20-6-2-3-7-23(20)30)15-21(28-29)19-5-4-14-27-16-19/h2-14,16,22,30H,15H2,1H3
InChIKeyXVQJFVHBYCQBFT-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.35
Rot. Bonds4

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone (PubChem CID 54583044) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone
PubChem CID54583044
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)o2)cc1
InChIInChI=1S/C26H21N3O3/c1-17-8-10-18(11-9-17)24-12-13-25(32-24)26(31)29-22(20-6-2-3-7-23(20)30)15-21(28-29)19-5-4-14-27-16-19/h2-14,16,22,30H,15H2,1H3
InChIKeyXVQJFVHBYCQBFT-UHFFFAOYSA-N
XLogP5.35
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxy-4-(5-methyl-2-furoyl)-5-(3-phenoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911077
3-Hydroxy-5-(4-methoxyphenyl)-4-(5-methyl-2-furoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2913061
2-[-(5-Phenyl-2-furoyl)-3-pyridin-3-yl-4,5-dihydro-1h-pyrazol-5-yl]phenol
CID 24963235
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(3-phenoxyphenyl)methanone
CID 24965013
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 24966065
4-(Benzo[d]furan-2-ylcarbonyl)-1-[3-(diethylamino)propyl]-3-hydroxy-5-(2-pyrid yl)-3-pyrrolin-2-one
CID 661982
5-ethyl-3-methyl-N-(4-pyridinylmethyl)-1-benzofuran-2-carboxamide
CID 852715
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2945586
furan-2-yl(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 2971839
4-(benzofuran-2-carbonyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-(pyridin-2-yl)-1H-pyrrol-2(5H)-one
CID 3821970
(E)-N'-(pyridin-4-ylmethylene)benzofuran-2-carbohydrazide
CID 6885515
1-[(3,5-Dimethyl-1-benzofuran-2-yl)carbonyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 24790220

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone (CID 54583044) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone is Cc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)o2)cc1.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone?
The InChIKey is XVQJFVHBYCQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-17-8-10-18(11-9-17)24-12-13-25(32-24)26(31)29-22(20-6-2-3-7-23(20)30)15-21(28-29)19-5-4-14-27-16-19/h2-14,16,22,30H,15H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(4-methylphenyl)furan-2-yl]methanone is sourced from PubChem (CID 54583044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).