2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione

C26H27N5O3 — CID 165132782

IUPAC2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(N3CCN(C4COC4)CC3)c2n1
InChIInChI=1S/C26H27N5O3/c32-25-21-3-1-2-4-22(21)26(33)31(25)14-19-13-30-12-18(17-5-6-17)11-23(24(30)27-19)29-9-7-28(8-10-29)20-15-34-16-20/h1-4,11-13,17,20H,5-10,14-16H2
InChIKeyTZSKTYXGGKDTBY-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.53
Rot. Bonds5

About 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione

2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 165132782) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
PubChem CID165132782
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(N3CCN(C4COC4)CC3)c2n1
InChIInChI=1S/C26H27N5O3/c32-25-21-3-1-2-4-22(21)26(33)31(25)14-19-13-30-12-18(17-5-6-17)11-23(24(30)27-19)29-9-7-28(8-10-29)20-15-34-16-20/h1-4,11-13,17,20H,5-10,14-16H2
InChIKeyTZSKTYXGGKDTBY-UHFFFAOYSA-N
XLogP2.53
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione (CID 165132782) is 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(N3CCN(C4COC4)CC3)c2n1.
What is the InChIKey of 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is TZSKTYXGGKDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-25-21-3-1-2-4-22(21)26(33)31(25)14-19-13-30-12-18(17-5-6-17)11-23(24(30)27-19)29-9-7-28(8-10-29)20-15-34-16-20/h1-4,11-13,17,20H,5-10,14-16H2.
What are the key properties of 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 457.53 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 165132782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).