(2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide

C29H46FN5O3Si — CID 168935974

About (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide

(2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide (PubChem CID 168935974) has the molecular formula C29H46FN5O3Si and a molecular weight of 559.80 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide
• PubChem CID: 168935974
• Molecular Formula: C29H46FN5O3Si
• Molecular Weight: 559.80 g/mol
• Exact Mass: 559.34
• IUPAC Name: (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide
• SMILES: COc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cn1
• InChI: InChI=1S/C29H46FN5O3Si/c1-17(2)39(18(3)4,19(5)6)38-16-25(24-12-22(30)13-32-29(24)37-7)35-15-23(14-33-35)34-28(36)27(31)26(20-8-9-20)21-10-11-21/h12-15,17-21,25-27H,8-11,16,31H2,1-7H3,(H,34,36)/t25?,27-/m0/s1
• InChIKey: ZDFSBYQWKSVPRL-GPNIZQGCSA-N
• XLogP: 5.91
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.80
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide?

The IUPAC name of (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide (CID 168935974) is (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide?

The canonical SMILES for (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide is COc1ncc(F)cc1C(CO[Si](C(C)C)(C(C)C)C(C)C)n1cc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cn1.

What is the InChIKey of (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide?

The InChIKey is ZDFSBYQWKSVPRL-GPNIZQGCSA-N. The full InChI is InChI=1S/C29H46FN5O3Si/c1-17(2)39(18(3)4,19(5)6)38-16-25(24-12-22(30)13-32-29(24)37-7)35-15-23(14-33-35)34-28(36)27(31)26(20-8-9-20)21-10-11-21/h12-15,17-21,25-27H,8-11,16,31H2,1-7H3,(H,34,36)/t25?,27-/m0/s1.

What are the key properties of (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide?

(2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide has a molecular weight of 559.80 g/mol, XLogP of 5.91, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3,3-dicyclopropyl-N-[1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-tri(propan-2-yl)silyloxyethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 168935974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).