(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C26H23FN2O5 — CID 41068047

IUPAC(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2C[C@@H]1CCCO1
InChIInChI=1S/C26H23FN2O5/c1-2-11-28-19-8-4-3-7-18(19)26(25(28)32)21-22(30)17-13-15(27)9-10-20(17)34-23(21)24(31)29(26)14-16-6-5-12-33-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3/t16-,26-/m0/s1
InChIKeyXVKXRKQNGZLXJV-QMTYFTJSSA-N
MW462.48 g/mol
LogP3.57
Rot. Bonds4

About (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 41068047) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID41068047
Molecular FormulaC26H23FN2O5
Molecular Weight462.48 g/mol
Exact Mass462.16
IUPAC Name(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2C[C@@H]1CCCO1
InChIInChI=1S/C26H23FN2O5/c1-2-11-28-19-8-4-3-7-18(19)26(25(28)32)21-22(30)17-13-15(27)9-10-20(17)34-23(21)24(31)29(26)14-16-6-5-12-33-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3/t16-,26-/m0/s1
InChIKeyXVKXRKQNGZLXJV-QMTYFTJSSA-N
XLogP3.57
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione with MolForge

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Related Compounds

(1R)-7-fluoro-2-[[(2R)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068050
(1R)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871817
7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867761
(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871821
7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868557
(1S)-6,7-dimethyl-2-[[(2R)-oxolan-2-yl]methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27316821
(1R)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27316816
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868251
1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868190
7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
2-butyl-7-fluoro-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868423
2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868558

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 41068047) is (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)[C@]2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2C[C@@H]1CCCO1.
What is the InChIKey of (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is XVKXRKQNGZLXJV-QMTYFTJSSA-N. The full InChI is InChI=1S/C26H23FN2O5/c1-2-11-28-19-8-4-3-7-18(19)26(25(28)32)21-22(30)17-13-15(27)9-10-20(17)34-23(21)24(31)29(26)14-16-6-5-12-33-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3/t16-,26-/m0/s1.
What are the key properties of (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 462.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 41068047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).