3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

C22H21ClN4O2 — CID 10001523

IUPAC3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3ccccc3Cl)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
InChIKeyPFGKNOJIVKFCCZ-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.21
Rot. Bonds6

About 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 10001523) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID10001523
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCN(C)CCCn1cc(C2=C(c3ccccc3Cl)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29)
InChIKeyPFGKNOJIVKFCCZ-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2-chlorophenyl)ethanone
CID 53467392
5-{1-[(3-chlorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53469449
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 90683761
2-[8-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10738832
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
2-(8-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10547104
2-[8-acetamido-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10598562
2-(6-Chloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,N-dipropyl-acetamide
CID 10714185
2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10787073
3-(2-chlorophenyl)-4-[1-(3-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-pyrrole-2,5-dione
CID 9977154
3-[1-(3-Hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(2-trifluoromethyl-phenyl)-pyrrole-2,5-dione
CID 10001880

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione (CID 10001523) is 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is CN(C)CCCn1cc(C2=C(c3ccccc3Cl)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is PFGKNOJIVKFCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-26(2)11-6-12-27-13-16(14-8-5-10-24-20(14)27)19-18(21(28)25-22(19)29)15-7-3-4-9-17(15)23/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,25,28,29).
What are the key properties of 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 408.89 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[1-[3-(dimethylamino)propyl]pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10001523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).