2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone

C23H22N4O3 — CID 86728954

IUPAC2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone
SMILESCOc1cc(NC(C(=O)c2nn(C)c3ccccc23)c2cccnc2)cc(OC)c1
InChIInChI=1S/C23H22N4O3/c1-27-20-9-5-4-8-19(20)22(26-27)23(28)21(15-7-6-10-24-14-15)25-16-11-17(29-2)13-18(12-16)30-3/h4-14,21,25H,1-3H3
InChIKeyOZSCACZVJZYFNG-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.02
Rot. Bonds7

About 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone

2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone (PubChem CID 86728954) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone
PubChem CID86728954
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone
SMILESCOc1cc(NC(C(=O)c2nn(C)c3ccccc23)c2cccnc2)cc(OC)c1
InChIInChI=1S/C23H22N4O3/c1-27-20-9-5-4-8-19(20)22(26-27)23(28)21(15-7-6-10-24-14-15)25-16-11-17(29-2)13-18(12-16)30-3/h4-14,21,25H,1-3H3
InChIKeyOZSCACZVJZYFNG-UHFFFAOYSA-N
XLogP4.02
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
2-(4-methoxyanilino)-2-pyridin-3-ylacetamide
CID 54889099
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
2-(3-methoxyanilino)-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-phenylethanone;hydrochloride
CID 86728858
3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
CID 103126250
(3-methoxypyrazin-2-yl)-(1-methylindazol-3-yl)methanone
CID 103125238
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348
2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
CID 86728775
2-cyano-3-(5-methoxy-1-methylindazol-3-yl)-3-oxo-N-phenylpropanamide
CID 54350555

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone (CID 86728954) is 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone is COc1cc(NC(C(=O)c2nn(C)c3ccccc23)c2cccnc2)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone?
The InChIKey is OZSCACZVJZYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27-20-9-5-4-8-19(20)22(26-27)23(28)21(15-7-6-10-24-14-15)25-16-11-17(29-2)13-18(12-16)30-3/h4-14,21,25H,1-3H3.
What are the key properties of 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone?
2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone has a molecular weight of 402.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-1-(1-methylindazol-3-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 86728954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).