[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone

C28H23N3O2 — CID 164589332

IUPAC[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone
SMILESCCOc1ccc(-c2cc3c(Nc4ccc(C(=O)c5ccccc5)cc4)ccnc3[nH]2)cc1
InChIInChI=1S/C28H23N3O2/c1-2-33-23-14-10-19(11-15-23)26-18-24-25(16-17-29-28(24)31-26)30-22-12-8-21(9-13-22)27(32)20-6-4-3-5-7-20/h3-18H,2H2,1H3,(H2,29,30,31)
InChIKeyXMPZDZOOUPDRNY-UHFFFAOYSA-N
MW433.51 g/mol
LogP6.60
Rot. Bonds7

About [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone

[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone (PubChem CID 164589332) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone
PubChem CID164589332
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC Name[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone
SMILESCCOc1ccc(-c2cc3c(Nc4ccc(C(=O)c5ccccc5)cc4)ccnc3[nH]2)cc1
InChIInChI=1S/C28H23N3O2/c1-2-33-23-14-10-19(11-15-23)26-18-24-25(16-17-29-28(24)31-26)30-22-12-8-21(9-13-22)27(32)20-6-4-3-5-7-20/h3-18H,2H2,1H3,(H2,29,30,31)
InChIKeyXMPZDZOOUPDRNY-UHFFFAOYSA-N
XLogP6.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone with MolForge

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Related Compounds

4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
N-benzyl-2-(4-ethoxyphenyl)-1-[3-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]pyrrolo[2,3-b]pyridin-4-amine
CID 164589326
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
2-(4-ethoxyanilino)benzoic acid
CID 15247418
(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
CID 142858154
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487427
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone?
The IUPAC name of [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone (CID 164589332) is [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone is CCOc1ccc(-c2cc3c(Nc4ccc(C(=O)c5ccccc5)cc4)ccnc3[nH]2)cc1.
What is the InChIKey of [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone?
The InChIKey is XMPZDZOOUPDRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-2-33-23-14-10-19(11-15-23)26-18-24-25(16-17-29-28(24)31-26)30-22-12-8-21(9-13-22)27(32)20-6-4-3-5-7-20/h3-18H,2H2,1H3,(H2,29,30,31).
What are the key properties of [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone?
[4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone has a molecular weight of 433.51 g/mol, XLogP of 6.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 164589332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).