1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione

C26H23N3O3 — CID 67652727

IUPAC1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)C=CC(CO)C4)C2=O)c2c1CCC=C2
InChIInChI=1S/C26H23N3O3/c1-27-14-20(17-6-2-4-8-21(17)27)19-13-24(31)29(26(19)32)25-18-7-3-5-9-22(18)28-11-10-16(15-30)12-23(25)28/h2-3,5-7,9-11,13-14,16,30H,4,8,12,15H2,1H3
InChIKeyWTBQCSKFVPVSLU-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.53
Rot. Bonds3

About 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione

1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione (PubChem CID 67652727) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione
PubChem CID67652727
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)C=CC(CO)C4)C2=O)c2c1CCC=C2
InChIInChI=1S/C26H23N3O3/c1-27-14-20(17-6-2-4-8-21(17)27)19-13-24(31)29(26(19)32)25-18-7-3-5-9-22(18)28-11-10-16(15-30)12-23(25)28/h2-3,5-7,9-11,13-14,16,30H,4,8,12,15H2,1H3
InChIKeyWTBQCSKFVPVSLU-UHFFFAOYSA-N
XLogP3.53
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 23171559
1-[8-(2-aminoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 67653331
1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 67652754
tert-butyl N-[10-[3-(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]carbamate
CID 67653386
1-[8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]-3-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 67653215
3-[1-[1-(3,4-dihydropyridin-6-ylmethyl)piperidin-4-yl]-6,7-dihydroindol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 155420547
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
[3,5-bis(1,2-dihydrocarbazol-9-yl)phenyl]methanol
CID 70991147
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
3-[(11S,15R)-13-methyl-1,13-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraen-8-yl]-4-(1-methylindol-3-yl)furan-2,5-dione
CID 22850690

Frequently Asked Questions

What is the IUPAC name of 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione (CID 67652727) is 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=CC(=O)N(c3c4n(c5ccccc35)C=CC(CO)C4)C2=O)c2c1CCC=C2.
What is the InChIKey of 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione?
The InChIKey is WTBQCSKFVPVSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-27-14-20(17-6-2-4-8-21(17)27)19-13-24(31)29(26(19)32)25-18-7-3-5-9-22(18)28-11-10-16(15-30)12-23(25)28/h2-3,5-7,9-11,13-14,16,30H,4,8,12,15H2,1H3.
What are the key properties of 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione?
1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione has a molecular weight of 425.49 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(hydroxymethyl)-8,9-dihydropyrido[1,2-a]indol-10-yl]-3-(1-methyl-6,7-dihydroindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67652727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).