4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C24H25N5O2 — CID 71091658

IUPAC4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCC1CN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC(C)O1
InChIInChI=1S/C24H25N5O2/c1-16-14-28(15-17(2)31-16)20-5-3-19(4-6-20)27-21-7-8-22(29-12-11-26-24(21)29)18-9-10-25-23(30)13-18/h3-13,16-17,27H,14-15H2,1-2H3,(H,25,30)
InChIKeySMLIQKHTMOCCGF-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.05
Rot. Bonds4

About 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 71091658) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID71091658
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCC1CN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC(C)O1
InChIInChI=1S/C24H25N5O2/c1-16-14-28(15-17(2)31-16)20-5-3-19(4-6-20)27-21-7-8-22(29-12-11-26-24(21)29)18-9-10-25-23(30)13-18/h3-13,16-17,27H,14-15H2,1-2H3,(H,25,30)
InChIKeySMLIQKHTMOCCGF-UHFFFAOYSA-N
XLogP4.05
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 71091658) is 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CC1CN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC(C)O1.
What is the InChIKey of 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is SMLIQKHTMOCCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-14-28(15-17(2)31-16)20-5-3-19(4-6-20)27-21-7-8-22(29-12-11-26-24(21)29)18-9-10-25-23(30)13-18/h3-13,16-17,27H,14-15H2,1-2H3,(H,25,30).
What are the key properties of 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 415.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(2,6-dimethylmorpholin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 71091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).