[6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone

C23H22N4O3 — CID 71219005

IUPAC[6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1cc(O)cc(C(=O)c2c[nH]c3nc(Nc4cccc(N(C)C)c4)ccc23)c1
InChIInChI=1S/C23H22N4O3/c1-27(2)16-6-4-5-15(11-16)25-21-8-7-19-20(13-24-23(19)26-21)22(29)14-9-17(28)12-18(10-14)30-3/h4-13,28H,1-3H3,(H2,24,25,26)
InChIKeyPUCNZZURADIYSF-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.32
Rot. Bonds6

About [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone

[6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone (PubChem CID 71219005) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone
PubChem CID71219005
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name[6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1cc(O)cc(C(=O)c2c[nH]c3nc(Nc4cccc(N(C)C)c4)ccc23)c1
InChIInChI=1S/C23H22N4O3/c1-27(2)16-6-4-5-15(11-16)25-21-8-7-19-20(13-24-23(19)26-21)22(29)14-9-17(28)12-18(10-14)30-3/h4-13,28H,1-3H3,(H2,24,25,26)
InChIKeyPUCNZZURADIYSF-UHFFFAOYSA-N
XLogP4.32
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone with MolForge

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Related Compounds

(3,5-dimethoxyphenyl)-[6-(2-methyl-6-nitroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 146271564
1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538265
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
(4-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
CID 58086473
1-N-[5-(3-methoxyphenyl)-2-pyridinyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 46209105
6-[3-(dimethylamino)anilino]pyridine-2-carbothioamide
CID 115377701
N-[3-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438804
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
methyl 2-[3-(dimethylamino)anilino]pyridine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146121213
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043
N,N-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)benzamide
CID 58512347
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71937920

Frequently Asked Questions

What is the IUPAC name of [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone (CID 71219005) is [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone is COc1cc(O)cc(C(=O)c2c[nH]c3nc(Nc4cccc(N(C)C)c4)ccc23)c1.
What is the InChIKey of [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is PUCNZZURADIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27(2)16-6-4-5-15(11-16)25-21-8-7-19-20(13-24-23(19)26-21)22(29)14-9-17(28)12-18(10-14)30-3/h4-13,28H,1-3H3,(H2,24,25,26).
What are the key properties of [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone?
[6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 402.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(dimethylamino)anilino]-1H-pyrrolo[2,3-b]pyridin-3-yl]-(3-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 71219005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).