4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C42H43Cl4N11O5 — CID 159668887

About 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 159668887) has the molecular formula C42H43Cl4N11O5 and a molecular weight of 923.69 g/mol. Its IUPAC name is 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 159668887
• Molecular Formula: C42H43Cl4N11O5
• Molecular Weight: 923.69 g/mol
• Exact Mass: 921.22
• IUPAC Name: 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1
• InChI: InChI=1S/C21H22Cl2N6O2.C21H21Cl2N5O3/c22-12-6-13(23)8-15(7-12)26-10-18(30)29-5-1-2-14(11-29)28-19-16-3-4-25-21(16)27-9-17(19)20(24)31;22-12-6-13(23)8-15(7-12)25-10-18(29)28-5-1-2-14(11-28)27-19-16-3-4-24-20(16)26-9-17(19)21(30)31/h3-4,6-9,14,26H,1-2,5,10-11H2,(H2,24,31)(H2,25,27,28);3-4,6-9,14,25H,1-2,5,10-11H2,(H,30,31)(H2,24,26,27)/t2*14-/m11/s1
• InChIKey: MTTLISYNFQQKAC-RPERETBRSA-N
• XLogP: 7.57
• TPSA: 226.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.69
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 159668887) is 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)CNc2cc(Cl)cc(Cl)c2)C1.

What is the InChIKey of 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is MTTLISYNFQQKAC-RPERETBRSA-N. The full InChI is InChI=1S/C21H22Cl2N6O2.C21H21Cl2N5O3/c22-12-6-13(23)8-15(7-12)26-10-18(30)29-5-1-2-14(11-29)28-19-16-3-4-25-21(16)27-9-17(19)20(24)31;22-12-6-13(23)8-15(7-12)25-10-18(29)28-5-1-2-14(11-28)27-19-16-3-4-24-20(16)26-9-17(19)21(30)31/h3-4,6-9,14,26H,1-2,5,10-11H2,(H2,24,31)(H2,25,27,28);3-4,6-9,14,25H,1-2,5,10-11H2,(H,30,31)(H2,24,26,27)/t2*14-/m11/s1.

What are the key properties of 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 923.69 g/mol, XLogP of 7.57, 12 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3R)-1-[2-(3,5-dichloroanilino)acetyl]piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 159668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).