N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C23H36FN7O5 — CID 87460429

About N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 87460429) has the molecular formula C23H36FN7O5 and a molecular weight of 509.58 g/mol. Its IUPAC name is N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
• PubChem CID: 87460429
• Molecular Formula: C23H36FN7O5
• Molecular Weight: 509.58 g/mol
• Exact Mass: 509.28
• IUPAC Name: N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
• SMILES: CC[C@H](Nc1nc(OC)nc(NNC(=O)C(CC2CCCC2)CN(O)C=O)c1F)C(=O)N1CCCC1
• InChI: InChI=1S/C23H36FN7O5/c1-3-17(22(34)30-10-6-7-11-30)25-19-18(24)20(27-23(26-19)36-2)28-29-21(33)16(13-31(35)14-32)12-15-8-4-5-9-15/h14-17,35H,3-13H2,1-2H3,(H,29,33)(H2,25,26,27,28)/t16?,17-/m0/s1
• InChIKey: PUEULXJNWGTBBZ-DJNXLDHESA-N
• XLogP: 1.92
• TPSA: 149.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.58
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The IUPAC name of N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 87460429) is N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

What is the SMILES notation for N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The canonical SMILES for N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is CC[C@H](Nc1nc(OC)nc(NNC(=O)C(CC2CCCC2)CN(O)C=O)c1F)C(=O)N1CCCC1.

What is the InChIKey of N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

The InChIKey is PUEULXJNWGTBBZ-DJNXLDHESA-N. The full InChI is InChI=1S/C23H36FN7O5/c1-3-17(22(34)30-10-6-7-11-30)25-19-18(24)20(27-23(26-19)36-2)28-29-21(33)16(13-31(35)14-32)12-15-8-4-5-9-15/h14-17,35H,3-13H2,1-2H3,(H,29,33)(H2,25,26,27,28)/t16?,17-/m0/s1.

What are the key properties of N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?

N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 509.58 g/mol, XLogP of 1.92, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methoxy-6-[[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 87460429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).