N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide

C47H53Br2ClN14O4 — CID 161130554

About N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide

N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide (PubChem CID 161130554) has the molecular formula C47H53Br2ClN14O4 and a molecular weight of 1073.30 g/mol. Its IUPAC name is N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide
• PubChem CID: 161130554
• Molecular Formula: C47H53Br2ClN14O4
• Molecular Weight: 1073.30 g/mol
• Exact Mass: 1070.24
• IUPAC Name: N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide
• SMILES: Cc1cncc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCN(C(=O)CC5CCCN5)CC4)c23)c1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCN(C(=O)CC4CCCN4)CC3)c12)c1cncc(Cl)c1
• InChI: InChI=1S/C24H28BrN7O2.C23H25BrClN7O2/c1-15-9-16(12-26-11-15)24(34)30-19-14-29-23-21(19)22(18(25)13-28-23)32-7-5-31(6-8-32)20(33)10-17-3-2-4-27-17;24-17-12-28-22-20(18(13-29-22)30-23(34)14-8-15(25)11-26-10-14)21(17)32-6-4-31(5-7-32)19(33)9-16-2-1-3-27-16/h9,11-14,17,27H,2-8,10H2,1H3,(H,28,29)(H,30,34);8,10-13,16,27H,1-7,9H2,(H,28,29)(H,30,34)
• InChIKey: UMCVIZOSNGCBNP-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 212.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1073.30
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide?

The IUPAC name of N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide (CID 161130554) is N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide?

The canonical SMILES for N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCN(C(=O)CC5CCCN5)CC4)c23)c1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCN(C(=O)CC4CCCN4)CC3)c12)c1cncc(Cl)c1.

What is the InChIKey of N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide?

The InChIKey is UMCVIZOSNGCBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN7O2.C23H25BrClN7O2/c1-15-9-16(12-26-11-15)24(34)30-19-14-29-23-21(19)22(18(25)13-28-23)32-7-5-31(6-8-32)20(33)10-17-3-2-4-27-17;24-17-12-28-22-20(18(13-29-22)30-23(34)14-8-15(25)11-26-10-14)21(17)32-6-4-31(5-7-32)19(33)9-16-2-1-3-27-16/h9,11-14,17,27H,2-8,10H2,1H3,(H,28,29)(H,30,34);8,10-13,16,27H,1-7,9H2,(H,28,29)(H,30,34).

What are the key properties of N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide?

N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 1073.30 g/mol, XLogP of 6.49, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 161130554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).