1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide

C26H33ClN6O4 — CID 53316388

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 53316388) has the molecular formula C26H33ClN6O4 and a molecular weight of 529.04 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 53316388
• Molecular Formula: C26H33ClN6O4
• Molecular Weight: 529.04 g/mol
• Exact Mass: 528.23
• IUPAC Name: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: COCCOc1cc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cn3)c2cn1
• InChI: InChI=1S/C26H33ClN6O4/c1-17(2)32-8-6-20(7-9-32)30-26(35)21-12-18-13-25(37-11-10-36-3)29-15-22(18)33(21)16-24(34)31-23-5-4-19(27)14-28-23/h4-5,12-15,17,20H,6-11,16H2,1-3H3,(H,30,35)(H,28,31,34)
• InChIKey: YREBJGUGKMXPGE-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 110.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.04
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide (CID 53316388) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide is COCCOc1cc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cn3)c2cn1.

What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is YREBJGUGKMXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O4/c1-17(2)32-8-6-20(7-9-32)30-26(35)21-12-18-13-25(37-11-10-36-3)29-15-22(18)33(21)16-24(34)31-23-5-4-19(27)14-28-23/h4-5,12-15,17,20H,6-11,16H2,1-3H3,(H,30,35)(H,28,31,34).

What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide?

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 529.04 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-(2-methoxyethoxy)-N-(1-propan-2-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53316388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).