N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H24FN5O3 — CID 10173179

About N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10173179) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10173179
• Molecular Formula: C21H24FN5O3
• Molecular Weight: 413.45 g/mol
• Exact Mass: 413.19
• IUPAC Name: N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(CC5CC5)nc4C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C21H24FN5O3/c1-13(28)23-7-17-11-27(21(29)30-17)16-4-5-20(18(22)6-16)25-9-15-10-26(8-14-2-3-14)24-19(15)12-25/h4-6,10,14,17H,2-3,7-9,11-12H2,1H3,(H,23,28)/t17-/m0/s1
• InChIKey: UGGDKSDPOLMVCA-KRWDZBQOSA-N
• XLogP: 2.41
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.45
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10173179) is N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(CC5CC5)nc4C3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is UGGDKSDPOLMVCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-13(28)23-7-17-11-27(21(29)30-17)16-4-5-20(18(22)6-16)25-9-15-10-26(8-14-2-3-14)24-19(15)12-25/h4-6,10,14,17H,2-3,7-9,11-12H2,1H3,(H,23,28)/t17-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 413.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[2-(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10173179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).