3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C26H24N4O4 — CID 67630263

IUPAC3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn([C@@H]4C[C@H](N)[C@@H](CO)O4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H24N4O4/c1-29-11-16(14-6-2-4-8-19(14)29)23-24(26(33)28-25(23)32)17-12-30(20-9-5-3-7-15(17)20)22-10-18(27)21(13-31)34-22/h2-9,11-12,18,21-22,31H,10,13,27H2,1H3,(H,28,32,33)/t18-,21+,22-/m0/s1
InChIKeyWTECFCHJCNZHSE-BWAGFHJFSA-N
MW456.50 g/mol
LogP2.31
Rot. Bonds4

About 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 67630263) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID67630263
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn([C@@H]4C[C@H](N)[C@@H](CO)O4)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H24N4O4/c1-29-11-16(14-6-2-4-8-19(14)29)23-24(26(33)28-25(23)32)17-12-30(20-9-5-3-7-15(17)20)22-10-18(27)21(13-31)34-22/h2-9,11-12,18,21-22,31H,10,13,27H2,1H3,(H,28,32,33)/t18-,21+,22-/m0/s1
InChIKeyWTECFCHJCNZHSE-BWAGFHJFSA-N
XLogP2.31
TPSA111.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-[3-(hydroxymethyl)-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 67839378
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
1-[(4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118311659
3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione;hydrate;hydrochloride
CID 86278309
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
3-[7-(aminomethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-11-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327743
3-(1-methylindol-2-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327659
5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 21202641
3-[6-(aminomethyl)imidazo[1,2-a]pyrazin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 24968580

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 67630263) is 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn([C@@H]4C[C@H](N)[C@@H](CO)O4)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is WTECFCHJCNZHSE-BWAGFHJFSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-29-11-16(14-6-2-4-8-19(14)29)23-24(26(33)28-25(23)32)17-12-30(20-9-5-3-7-15(17)20)22-10-18(27)21(13-31)34-22/h2-9,11-12,18,21-22,31H,10,13,27H2,1H3,(H,28,32,33)/t18-,21+,22-/m0/s1.
What are the key properties of 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 456.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67630263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).