N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C23H22BrN5O2 — CID 138561932

About N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138561932) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• PubChem CID: 138561932
• Molecular Formula: C23H22BrN5O2
• Molecular Weight: 480.37 g/mol
• Exact Mass: 479.10
• IUPAC Name: N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• SMILES: CC1CN(C(=O)c2ccnc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
• InChI: InChI=1S/C23H22BrN5O2/c1-13-12-29(23(31)15-4-7-25-19(24)10-15)9-6-16(13)18-11-20(28-22(30)14-2-3-14)27-21-17(18)5-8-26-21/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H2,26,27,28,30)
• InChIKey: UOHMOSGQAODKRI-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.37
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138561932) is N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is CC1CN(C(=O)c2ccnc(Br)c2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.

What is the InChIKey of N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The InChIKey is UOHMOSGQAODKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-13-12-29(23(31)15-4-7-25-19(24)10-15)9-6-16(13)18-11-20(28-22(30)14-2-3-14)27-21-17(18)5-8-26-21/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H2,26,27,28,30).

What are the key properties of N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 480.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(2-bromopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138561932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).