(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide

C24H34FN5O5Si — CID 23928588

IUPAC(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(CCO)nn3)[C@H]([Si](C)(C)F)[C@H]1C)C(=O)N2C
InChIInChI=1S/C24H34FN5O5Si/c1-14-21(36(4,5)25)20(8-10-30-13-17(9-11-31)27-28-30)35-24(14)18-12-16(26-22(33)15(2)32)6-7-19(18)29(3)23(24)34/h6-7,12-15,20-21,31-32H,8-11H2,1-5H3,(H,26,33)/t14-,15+,20+,21-,24+/m1/s1
InChIKeyADOPETHIDGESAR-CTVCJSIGSA-N
MW519.65 g/mol
LogP1.97
Rot. Bonds8

About (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide

(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide (PubChem CID 23928588) has the molecular formula C24H34FN5O5Si and a molecular weight of 519.65 g/mol. Its IUPAC name is (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
PubChem CID23928588
Molecular FormulaC24H34FN5O5Si
Molecular Weight519.65 g/mol
Exact Mass519.23
IUPAC Name(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(CCO)nn3)[C@H]([Si](C)(C)F)[C@H]1C)C(=O)N2C
InChIInChI=1S/C24H34FN5O5Si/c1-14-21(36(4,5)25)20(8-10-30-13-17(9-11-31)27-28-30)35-24(14)18-12-16(26-22(33)15(2)32)6-7-19(18)29(3)23(24)34/h6-7,12-15,20-21,31-32H,8-11H2,1-5H3,(H,26,33)/t14-,15+,20+,21-,24+/m1/s1
InChIKeyADOPETHIDGESAR-CTVCJSIGSA-N
XLogP1.97
TPSA129.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide (CID 23928588) is (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide is C[C@H](O)C(=O)Nc1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(CCO)nn3)[C@H]([Si](C)(C)F)[C@H]1C)C(=O)N2C.
What is the InChIKey of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
The InChIKey is ADOPETHIDGESAR-CTVCJSIGSA-N. The full InChI is InChI=1S/C24H34FN5O5Si/c1-14-21(36(4,5)25)20(8-10-30-13-17(9-11-31)27-28-30)35-24(14)18-12-16(26-22(33)15(2)32)6-7-19(18)29(3)23(24)34/h6-7,12-15,20-21,31-32H,8-11H2,1-5H3,(H,26,33)/t14-,15+,20+,21-,24+/m1/s1.
What are the key properties of (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide?
(2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide has a molecular weight of 519.65 g/mol, XLogP of 1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S,3'S,4'R,5'S)-4'-[fluoro(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-1,3'-dimethyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]-2-hydroxypropanamide is sourced from PubChem (CID 23928588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).