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

C32H33N5O2 — CID 155420547

IUPAC3-[1-[1-(3,4-dihydropyridin-6-ylmethyl)piperidin-4-yl]-6,7-dihydroindol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C4CCN(CC5=CCCC=N5)CC4)c4c3C=CCC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C32H33N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-4,8-11,15,19-20,22H,5-7,12-14,16-18H2,1H3,(H,34,38,39)
InChIKeyKYDVPNSFJAJVFV-UHFFFAOYSA-N
MW519.65 g/mol
LogP4.89
Rot. Bonds5

About 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

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 (PubChem CID 155420547) has the molecular formula C32H33N5O2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[1-[1-(3,4-dihydropyridin-6-ylmethyl)piperidin-4-yl]-6,7-dihydroindol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID155420547
Molecular FormulaC32H33N5O2
Molecular Weight519.65 g/mol
Exact Mass519.26
IUPAC Name3-[1-[1-(3,4-dihydropyridin-6-ylmethyl)piperidin-4-yl]-6,7-dihydroindol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C4CCN(CC5=CCCC=N5)CC4)c4c3C=CCC4)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C32H33N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-4,8-11,15,19-20,22H,5-7,12-14,16-18H2,1H3,(H,34,38,39)
InChIKeyKYDVPNSFJAJVFV-UHFFFAOYSA-N
XLogP4.89
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(C2=C(c3cn(C4CCN(CC5=CCCC=N5)CC4)c4c3C=CCC4)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is KYDVPNSFJAJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-4,8-11,15,19-20,22H,5-7,12-14,16-18H2,1H3,(H,34,38,39).
What are the key properties of 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?
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 has a molecular weight of 519.65 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155420547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).