4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

C35H33Cl3N6O2 — CID 145130970

IUPAC4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.Cc1cn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C19H20ClN3O.C16H13Cl2N3O/c1-11(2)13-5-7-14(8-6-13)22-19(24)15-9-21-18-16(17(15)20)12(3)10-23(18)4;1-9-8-21(2)15-13(9)14(18)12(7-19-15)16(22)20-11-5-3-10(17)4-6-11/h5-11H,1-4H3,(H,22,24);3-8H,1-2H3,(H,20,22)
InChIKeyQNPDUPRYTFJIBR-UHFFFAOYSA-N
MW676.05 g/mol
LogP9.35
Rot. Bonds5

About 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 145130970) has the molecular formula C35H33Cl3N6O2 and a molecular weight of 676.05 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID145130970
Molecular FormulaC35H33Cl3N6O2
Molecular Weight676.05 g/mol
Exact Mass674.17
IUPAC Name4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1cn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.Cc1cn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C19H20ClN3O.C16H13Cl2N3O/c1-11(2)13-5-7-14(8-6-13)22-19(24)15-9-21-18-16(17(15)20)12(3)10-23(18)4;1-9-8-21(2)15-13(9)14(18)12(7-19-15)16(22)20-11-5-3-10(17)4-6-11/h5-11H,1-4H3,(H,22,24);3-8H,1-2H3,(H,20,22)
InChIKeyQNPDUPRYTFJIBR-UHFFFAOYSA-N
XLogP9.35
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.05
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

Elbimilast
CID 9803446
N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide
CID 124219454
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 90683761
N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-(4-chlorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 135198106
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-chlorophenyl)urea
CID 10253133
1-[3-(4-Amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-chlorophenyl)urea
CID 67219433
2-(4-chlorophenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683596
4-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757120
4-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methylamino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155757126
1-[3-(4-Amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 71615301
4-[4-chloro-1-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-3-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 137633544
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 168288749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide (CID 145130970) is 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1cn(C)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.Cc1cn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is QNPDUPRYTFJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O.C16H13Cl2N3O/c1-11(2)13-5-7-14(8-6-13)22-19(24)15-9-21-18-16(17(15)20)12(3)10-23(18)4;1-9-8-21(2)15-13(9)14(18)12(7-19-15)16(22)20-11-5-3-10(17)4-6-11/h5-11H,1-4H3,(H,22,24);3-8H,1-2H3,(H,20,22).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 676.05 g/mol, XLogP of 9.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1,3-dimethyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 145130970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).