1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

C24H27FN10O2 — CID 143573605

About 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (PubChem CID 143573605) has the molecular formula C24H27FN10O2 and a molecular weight of 506.55 g/mol. Its IUPAC name is 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
• PubChem CID: 143573605
• Molecular Formula: C24H27FN10O2
• Molecular Weight: 506.55 g/mol
• Exact Mass: 506.23
• IUPAC Name: 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
• SMILES: Cc1ccnn1-c1ncc(F)c2c(C(=O)C(=O)N3CCN(C(NN)N(N)c4ccccc4)CC3)c[nH]c12
• InChI: InChI=1S/C24H27FN10O2/c1-15-7-8-30-35(15)22-20-19(18(25)14-29-22)17(13-28-20)21(36)23(37)32-9-11-33(12-10-32)24(31-26)34(27)16-5-3-2-4-6-16/h2-8,13-14,24,28,31H,9-12,26-27H2,1H3
• InChIKey: RXYRCPWVANEXRX-UHFFFAOYSA-N
• XLogP: 0.65
• TPSA: 154.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.55
LogP ≤ 5	0.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?

The IUPAC name of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (CID 143573605) is 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.

What is the SMILES notation for 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?

The canonical SMILES for 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is Cc1ccnn1-c1ncc(F)c2c(C(=O)C(=O)N3CCN(C(NN)N(N)c4ccccc4)CC3)c[nH]c12.

What is the InChIKey of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?

The InChIKey is RXYRCPWVANEXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN10O2/c1-15-7-8-30-35(15)22-20-19(18(25)14-29-22)17(13-28-20)21(36)23(37)32-9-11-33(12-10-32)24(31-26)34(27)16-5-3-2-4-6-16/h2-8,13-14,24,28,31H,9-12,26-27H2,1H3.

What are the key properties of 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?

1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione has a molecular weight of 506.55 g/mol, XLogP of 0.65, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(N-aminoanilino)-hydrazinylmethyl]piperazin-1-yl]-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is sourced from PubChem (CID 143573605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).