3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione

C27H27N5O2 — CID 69268622

IUPAC3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione
SMILESCC(C)N1CCC(n2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3ccccc32)CC1
InChIInChI=1S/C27H27N5O2/c1-17(2)30-13-10-18(11-14-30)32-16-20(19-7-3-4-8-21(19)32)24-25(27(34)29-26(24)33)22-15-28-23-9-5-6-12-31(22)23/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,29,33,34)
InChIKeyPBZIQFOLVDISLG-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.90
Rot. Bonds4

About 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione

3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 69268622) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione
PubChem CID69268622
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione
SMILESCC(C)N1CCC(n2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3ccccc32)CC1
InChIInChI=1S/C27H27N5O2/c1-17(2)30-13-10-18(11-14-30)32-16-20(19-7-3-4-8-21(19)32)24-25(27(34)29-26(24)33)22-15-28-23-9-5-6-12-31(22)23/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,29,33,34)
InChIKeyPBZIQFOLVDISLG-UHFFFAOYSA-N
XLogP3.90
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione (CID 69268622) is 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione is CC(C)N1CCC(n2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3ccccc32)CC1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is PBZIQFOLVDISLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-17(2)30-13-10-18(11-14-30)32-16-20(19-7-3-4-8-21(19)32)24-25(27(34)29-26(24)33)22-15-28-23-9-5-6-12-31(22)23/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,29,33,34).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione?
3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 453.55 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-4-[1-(1-propan-2-ylpiperidin-4-yl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 69268622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).