tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate

C18H23FN6O2 — CID 163415359

About tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate

tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate (PubChem CID 163415359) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate
• PubChem CID: 163415359
• Molecular Formula: C18H23FN6O2
• Molecular Weight: 374.42 g/mol
• Exact Mass: 374.19
• IUPAC Name: tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate
• SMILES: Cc1nc(N[C@@H](CNC(=O)OC(C)(C)C)Cn2cccn2)c(F)cc1C#N
• InChI: InChI=1S/C18H23FN6O2/c1-12-13(9-20)8-15(19)16(23-12)24-14(11-25-7-5-6-22-25)10-21-17(26)27-18(2,3)4/h5-8,14H,10-11H2,1-4H3,(H,21,26)(H,23,24)/t14-/m0/s1
• InChIKey: ADXSNMFJZFLXAA-AWEZNQCLSA-N
• XLogP: 2.60
• TPSA: 104.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.42
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate (CID 163415359) is tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate is Cc1nc(N[C@@H](CNC(=O)OC(C)(C)C)Cn2cccn2)c(F)cc1C#N.

What is the InChIKey of tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate?

The InChIKey is ADXSNMFJZFLXAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-12-13(9-20)8-15(19)16(23-12)24-14(11-25-7-5-6-22-25)10-21-17(26)27-18(2,3)4/h5-8,14H,10-11H2,1-4H3,(H,21,26)(H,23,24)/t14-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate?

tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate is sourced from PubChem (CID 163415359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).