CID 72734833

C26H21N3O3 — CID 72734833

IUPAC—
SMILESCC(=O)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H21N3O3/c1-15(30)21-25(17-11-5-7-13-19(17)27-23(25)31)22(16-9-3-2-4-10-16)29-26(21)18-12-6-8-14-20(18)28-24(26)32/h2-14,21-22,29H,1H3,(H,27,31)(H,28,32)/t21-,22+,25+,26-/m1/s1
InChIKeyFBXQDSRAMODHPI-FIKUDORNSA-N
MW423.47 g/mol
LogP3.27
Rot. Bonds2

About CID 72734833

CID 72734833 (PubChem CID 72734833) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol.

Molecular Properties

Compound NameCID 72734833
PubChem CID72734833
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name—
SMILESCC(=O)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C26H21N3O3/c1-15(30)21-25(17-11-5-7-13-19(17)27-23(25)31)22(16-9-3-2-4-10-16)29-26(21)18-12-6-8-14-20(18)28-24(26)32/h2-14,21-22,29H,1H3,(H,27,31)(H,28,32)/t21-,22+,25+,26-/m1/s1
InChIKeyFBXQDSRAMODHPI-FIKUDORNSA-N
XLogP3.27
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,3'S,4'S,5'R)-3'-benzoyl-5'-(2-methylpropyl)-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 51668742
methyl (2'R,3S,3'R,5'S)-5'-(2,3-dichlorophenyl)-2-oxo-3'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 45490042
(4'R,5'S)-4'-(4-bromophenyl)-3'-(4-chlorobenzoyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 175663546
(3S,3'S,4'S,5'S)-3'-(4-fluorophenyl)-4'-nitro-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 71591970
methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 162648038
(4'R,5'S)-3'-(4-chlorobenzoyl)-4'-(4-ethoxyphenyl)-5'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 171935819
(1R,3R,3aS,6aS)-5-(4-chlorophenyl)-1-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 124791490
methyl (2'R,3S,3'R,5'R)-5'-(4-bromophenyl)-3'-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 45490057
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 102153182
(1'R,3R,3'R,3'aR)-1'-acetyl-3'-benzoylspiro[1H-indole-3,2'-3,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 51900842
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
5'-(2-methylpropyl)-2-oxo-N-phenylspiro[1H-indole-3,2'-pyrrolidine]-3'-carboxamide
CID 75950163

Frequently Asked Questions

What is the IUPAC name of CID 72734833?
The IUPAC name of CID 72734833 (CID 72734833) is not available.
What is the SMILES notation for CID 72734833?
The canonical SMILES for CID 72734833 is CC(=O)[C@@H]1[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 72734833?
The InChIKey is FBXQDSRAMODHPI-FIKUDORNSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-15(30)21-25(17-11-5-7-13-19(17)27-23(25)31)22(16-9-3-2-4-10-16)29-26(21)18-12-6-8-14-20(18)28-24(26)32/h2-14,21-22,29H,1H3,(H,27,31)(H,28,32)/t21-,22+,25+,26-/m1/s1.
What are the key properties of CID 72734833?
CID 72734833 has a molecular weight of 423.47 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72734833 is sourced from PubChem (CID 72734833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).