5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one

C29H28N6O2 — CID 67120783

IUPAC5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
SMILESCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1
InChIInChI=1S/C29H28N6O2/c1-19(2)33-13-15-34(16-14-33)29(37)20-3-6-23(7-4-20)32-25-9-10-26(35-12-11-30-27(25)35)21-5-8-24-22(17-21)18-31-28(24)36/h3-12,17-19,32H,13-16H2,1-2H3
InChIKeyIXIINUPLBXUOKJ-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.48
Rot. Bonds5

About 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one

5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one (PubChem CID 67120783) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one.

Molecular Properties

Compound Name5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
PubChem CID67120783
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one
SMILESCC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1
InChIInChI=1S/C29H28N6O2/c1-19(2)33-13-15-34(16-14-33)29(37)20-3-6-23(7-4-20)32-25-9-10-26(35-12-11-30-27(25)35)21-5-8-24-22(17-21)18-31-28(24)36/h3-12,17-19,32H,13-16H2,1-2H3
InChIKeyIXIINUPLBXUOKJ-UHFFFAOYSA-N
XLogP4.48
TPSA82.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
The IUPAC name of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one (CID 67120783) is 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one.
What is the SMILES notation for 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
The canonical SMILES for 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one is CC(C)N1CCN(C(=O)c2ccc(Nc3ccc(-c4ccc5c(c4)C=NC5=O)n4ccnc34)cc2)CC1.
What is the InChIKey of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
The InChIKey is IXIINUPLBXUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-19(2)33-13-15-34(16-14-33)29(37)20-3-6-23(7-4-20)32-25-9-10-26(35-12-11-30-27(25)35)21-5-8-24-22(17-21)18-31-28(24)36/h3-12,17-19,32H,13-16H2,1-2H3.
What are the key properties of 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one?
5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one has a molecular weight of 492.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]isoindol-1-one is sourced from PubChem (CID 67120783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).