5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol

C24H26N4O — CID 144764924

IUPAC5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol
SMILESCCc1ccc(Nc2nccc3c2cc(-c2ccc(N(C)C)cc2)n3C)cc1O
InChIInChI=1S/C24H26N4O/c1-5-16-6-9-18(14-23(16)29)26-24-20-15-22(28(4)21(20)12-13-25-24)17-7-10-19(11-8-17)27(2)3/h6-15,29H,5H2,1-4H3,(H,25,26)
InChIKeyKFKYZAJADFDPAY-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.32
Rot. Bonds5

About 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol

5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol (PubChem CID 144764924) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol.

Molecular Properties

Compound Name5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol
PubChem CID144764924
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol
SMILESCCc1ccc(Nc2nccc3c2cc(-c2ccc(N(C)C)cc2)n3C)cc1O
InChIInChI=1S/C24H26N4O/c1-5-16-6-9-18(14-23(16)29)26-24-20-15-22(28(4)21(20)12-13-25-24)17-7-10-19(11-8-17)27(2)3/h6-15,29H,5H2,1-4H3,(H,25,26)
InChIKeyKFKYZAJADFDPAY-UHFFFAOYSA-N
XLogP5.32
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1-methyl-2-phenylpyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]methanesulfonamide
CID 71729400
N-(4-fluorophenyl)-1-methyl-2-pyridin-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71729576
1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71728682
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
6-[4-(dimethylamino)anilino]quinoline-5,8-diol
CID 135453963
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
3-N,3-N,6-N,6-N-tetrakis[4-(dimethylamino)phenyl]-9-methylcarbazole-3,6-diamine
CID 143236484
N-[4-(dimethylamino)phenyl]-2-(ethylamino)pyridine-4-carboxamide
CID 62168755
1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one
CID 165080774
N-(4-chlorophenyl)-5-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126474587
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol?
The IUPAC name of 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol (CID 144764924) is 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol.
What is the SMILES notation for 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol?
The canonical SMILES for 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol is CCc1ccc(Nc2nccc3c2cc(-c2ccc(N(C)C)cc2)n3C)cc1O.
What is the InChIKey of 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol?
The InChIKey is KFKYZAJADFDPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-5-16-6-9-18(14-23(16)29)26-24-20-15-22(28(4)21(20)12-13-25-24)17-7-10-19(11-8-17)27(2)3/h6-15,29H,5H2,1-4H3,(H,25,26).
What are the key properties of 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol?
5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol has a molecular weight of 386.50 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(dimethylamino)phenyl]-1-methylpyrrolo[3,2-c]pyridin-4-yl]amino]-2-ethylphenol is sourced from PubChem (CID 144764924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).