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

C23H22FN5O3 — CID 142270595

IUPACN-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
SMILESO=CNCC1CN(c2ccc(N3Cc4cn(Cc5ccccc5)nc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H22FN5O3/c24-20-8-18(29-13-19(9-25-15-30)32-23(29)31)6-7-22(20)27-11-17-12-28(26-21(17)14-27)10-16-4-2-1-3-5-16/h1-8,12,15,19H,9-11,13-14H2,(H,25,30)
InChIKeyRHDJNSYMUYSVAD-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.66
Rot. Bonds7

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

N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide (PubChem CID 142270595) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
PubChem CID142270595
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC NameN-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
SMILESO=CNCC1CN(c2ccc(N3Cc4cn(Cc5ccccc5)nc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H22FN5O3/c24-20-8-18(29-13-19(9-25-15-30)32-23(29)31)6-7-22(20)27-11-17-12-28(26-21(17)14-27)10-16-4-2-1-3-5-16/h1-8,12,15,19H,9-11,13-14H2,(H,25,30)
InChIKeyRHDJNSYMUYSVAD-UHFFFAOYSA-N
XLogP2.66
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[[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-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
CID 142686777
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
N-[[(5S)-3-[4-[4-(cyanomethylidene)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 24885427
ethane;N-[[3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 145494793
N-[[3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide;ethane;methane
CID 142270561
N-[[(5S)-3-(4-azido-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 89363600
(5R)-3-[4-[(1R,5S)-6-(benzylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 91257464
N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 89230558
N-[[(5S)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10156789
5-(aminomethyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 23394079

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
The IUPAC name of N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide (CID 142270595) is N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide.
What is the SMILES notation for N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
The canonical SMILES for N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide is O=CNCC1CN(c2ccc(N3Cc4cn(Cc5ccccc5)nc4C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
The InChIKey is RHDJNSYMUYSVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-20-8-18(29-13-19(9-25-15-30)32-23(29)31)6-7-22(20)27-11-17-12-28(26-21(17)14-27)10-16-4-2-1-3-5-16/h1-8,12,15,19H,9-11,13-14H2,(H,25,30).
What are the key properties of N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide?
N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide has a molecular weight of 435.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-benzyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide is sourced from PubChem (CID 142270595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).