2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate

C19H23FN5O7P — CID 21354609

IUPAC2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate
SMILESCC(=O)NCC1CN(c2ccc(N3Cc4cn(CCOP(=O)(O)O)nc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H23FN5O7P/c1-12(26)21-7-15-10-25(19(27)32-15)14-2-3-18(16(20)6-14)23-8-13-9-24(22-17(13)11-23)4-5-31-33(28,29)30/h2-3,6,9,15H,4-5,7-8,10-11H2,1H3,(H,21,26)(H2,28,29,30)
InChIKeyBPXHUSBPWAJRRE-UHFFFAOYSA-N
MW483.39 g/mol
LogP1.11
Rot. Bonds8

About 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate

2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate (PubChem CID 21354609) has the molecular formula C19H23FN5O7P and a molecular weight of 483.39 g/mol. Its IUPAC name is 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate
PubChem CID21354609
Molecular FormulaC19H23FN5O7P
Molecular Weight483.39 g/mol
Exact Mass483.13
IUPAC Name2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate
SMILESCC(=O)NCC1CN(c2ccc(N3Cc4cn(CCOP(=O)(O)O)nc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H23FN5O7P/c1-12(26)21-7-15-10-25(19(27)32-15)14-2-3-18(16(20)6-14)23-8-13-9-24(22-17(13)11-23)4-5-31-33(28,29)30/h2-3,6,9,15H,4-5,7-8,10-11H2,1H3,(H,21,26)(H2,28,29,30)
InChIKeyBPXHUSBPWAJRRE-UHFFFAOYSA-N
XLogP1.11
TPSA146.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate with MolForge

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Related Compounds

N-[[3-[3-fluoro-4-(2-prop-2-ynyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23503618
N-[[(5S)-3-[3-fluoro-4-[2-(phenylmethoxymethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10238856
N-[[(5S)-3-[4-[3-(difluoromethylidene)azetidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70196493
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158936286
N-[[3-[3-fluoro-4-[2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18700318
N-[[3-[3-fluoro-4-[3-(methoxymethylidene)azetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70197464
N-[[3-[4-[2-(cyanomethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23515460
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-6-[(E)-2-methoxyethoxyiminomethyl]-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10296600
N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate?
The IUPAC name of 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate (CID 21354609) is 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate is CC(=O)NCC1CN(c2ccc(N3Cc4cn(CCOP(=O)(O)O)nc4C3)c(F)c2)C(=O)O1.
What is the InChIKey of 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate?
The InChIKey is BPXHUSBPWAJRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN5O7P/c1-12(26)21-7-15-10-25(19(27)32-15)14-2-3-18(16(20)6-14)23-8-13-9-24(22-17(13)11-23)4-5-31-33(28,29)30/h2-3,6,9,15H,4-5,7-8,10-11H2,1H3,(H,21,26)(H2,28,29,30).
What are the key properties of 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate?
2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate has a molecular weight of 483.39 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]ethyl dihydrogen phosphate is sourced from PubChem (CID 21354609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).