1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine

C16H17ClFN7 — CID 126687199

About 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine

1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine (PubChem CID 126687199) has the molecular formula C16H17ClFN7 and a molecular weight of 361.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine.

Molecular Properties

• Compound Name: 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine
• PubChem CID: 126687199
• Molecular Formula: C16H17ClFN7
• Molecular Weight: 361.81 g/mol
• Exact Mass: 361.12
• IUPAC Name: 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine
• SMILES: NN(c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)[C@H]1CCCNC1
• InChI: InChI=1S/C16H17ClFN7/c17-9-4-11-12(7-22-14(11)21-5-9)15-23-8-13(18)16(24-15)25(19)10-2-1-3-20-6-10/h4-5,7-8,10,20H,1-3,6,19H2,(H,21,22)/t10-/m0/s1
• InChIKey: CFRLTWYFZHNMND-JTQLQIEISA-N
• XLogP: 2.24
• TPSA: 95.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.81
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine?

The IUPAC name of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine (CID 126687199) is 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine.

What is the SMILES notation for 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine?

The canonical SMILES for 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine is NN(c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)[C@H]1CCCNC1.

What is the InChIKey of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine?

The InChIKey is CFRLTWYFZHNMND-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17ClFN7/c17-9-4-11-12(7-22-14(11)21-5-9)15-23-8-13(18)16(24-15)25(19)10-2-1-3-20-6-10/h4-5,7-8,10,20H,1-3,6,19H2,(H,21,22)/t10-/m0/s1.

What are the key properties of 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine?

1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine has a molecular weight of 361.81 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine is sourced from PubChem (CID 126687199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).