1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide

C22H17Cl2N3O — CID 135253068

IUPAC1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C22H17Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)21-19(14)20(24)18(11-25-21)22(28)26-17-9-7-16(23)8-10-17/h2-12H,13H2,1H3,(H,26,28)
InChIKeyNVOLHNIFIHCJNK-UHFFFAOYSA-N
MW410.30 g/mol
LogP5.95
Rot. Bonds4

About 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide

1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135253068) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135253068
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C22H17Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)21-19(14)20(24)18(11-25-21)22(28)26-17-9-7-16(23)8-10-17/h2-12H,13H2,1H3,(H,26,28)
InChIKeyNVOLHNIFIHCJNK-UHFFFAOYSA-N
XLogP5.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253078
4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253184
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253003
4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458784
4-chloro-N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253007
3,4-dichloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 122457407
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458330
4-chloro-N-(2-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 135252989
4-chloro-N-(4-chlorophenyl)-1-(2-methoxyethyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 162108614
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253194
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-oxazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458533

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 135253068) is 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is NVOLHNIFIHCJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)21-19(14)20(24)18(11-25-21)22(28)26-17-9-7-16(23)8-10-17/h2-12H,13H2,1H3,(H,26,28).
What are the key properties of 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 410.30 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135253068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).