2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione

C34H22ClFN10O3 — CID 158094494

IUPAC2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione
SMILESC[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1ncc(-c2ccc3c(N4C(=O)c5ccccc5C4=O)n[nH]c3c2F)[nH]1
InChIInChI=1S/C34H22ClFN10O3/c1-16-10-19-11-17(24-13-18(35)6-9-26(24)44-15-38-42-43-44)12-27(47)45(19)30(16)31-37-14-25(39-31)22-7-8-23-29(28(22)36)40-41-32(23)46-33(48)20-4-2-3-5-21(20)34(46)49/h2-9,11-16,30H,10H2,1H3,(H,37,39)(H,40,41)/t16-,30-/m0/s1
InChIKeyFOMUDRQCFOGBGS-DFYVNMARSA-N
MW673.07 g/mol
LogP5.13
Rot. Bonds5

About 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione

2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione (PubChem CID 158094494) has the molecular formula C34H22ClFN10O3 and a molecular weight of 673.07 g/mol. Its IUPAC name is 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione
PubChem CID158094494
Molecular FormulaC34H22ClFN10O3
Molecular Weight673.07 g/mol
Exact Mass672.15
IUPAC Name2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione
SMILESC[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1ncc(-c2ccc3c(N4C(=O)c5ccccc5C4=O)n[nH]c3c2F)[nH]1
InChIInChI=1S/C34H22ClFN10O3/c1-16-10-19-11-17(24-13-18(35)6-9-26(24)44-15-38-42-43-44)12-27(47)45(19)30(16)31-37-14-25(39-31)22-7-8-23-29(28(22)36)40-41-32(23)46-33(48)20-4-2-3-5-21(20)34(46)49/h2-9,11-16,30H,10H2,1H3,(H,37,39)(H,40,41)/t16-,30-/m0/s1
InChIKeyFOMUDRQCFOGBGS-DFYVNMARSA-N
XLogP5.13
TPSA160.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.07
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

(2e)-N-{(1s)-1-[4-(3-Amino-1h-Indazol-6-Yl)-1h-Imidazol-2-Yl]-2-Phenylethyl}-3-[5-Chloro-2-(1h-Tetrazol-1-Yl)phenyl]prop-2-Enamide
CID 90478342
US20230295157, Example 247
CID 162684594
US20230295157, Example 265
CID 162684694
US20230295157, Example 313
CID 169058520
US20230295157, Example 258
CID 169058534
US20230295157, Example 196
CID 169058543
US20230295157, Example 287
CID 162684086
US20230295157, Example 197
CID 162684125
US20230295157, Example 8
CID 162684260
US20230295157, Example 275
CID 162684320
US20230295157, Example 383
CID 162684621
US20230295157, Example 41
CID 169058499

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione (CID 158094494) is 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione is C[C@H]1Cc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n2[C@@H]1c1ncc(-c2ccc3c(N4C(=O)c5ccccc5C4=O)n[nH]c3c2F)[nH]1.
What is the InChIKey of 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione?
The InChIKey is FOMUDRQCFOGBGS-DFYVNMARSA-N. The full InChI is InChI=1S/C34H22ClFN10O3/c1-16-10-19-11-17(24-13-18(35)6-9-26(24)44-15-38-42-43-44)12-27(47)45(19)30(16)31-37-14-25(39-31)22-7-8-23-29(28(22)36)40-41-32(23)46-33(48)20-4-2-3-5-21(20)34(46)49/h2-9,11-16,30H,10H2,1H3,(H,37,39)(H,40,41)/t16-,30-/m0/s1.
What are the key properties of 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione?
2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione has a molecular weight of 673.07 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[(2S,3S)-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-methyl-5-oxo-2,3-dihydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]-7-fluoro-1H-indazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 158094494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).