4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide

C21H21N7O — CID 69327635

IUPAC4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(NCCCC(N)=O)n2)n1
InChIInChI=1S/C21H21N7O/c1-14-6-4-7-15(25-14)19-20(28-13-3-2-9-18(28)27-19)16-10-12-24-21(26-16)23-11-5-8-17(22)29/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,22,29)(H,23,24,26)
InChIKeySBSTUXLQDWSQAF-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.84
Rot. Bonds7

About 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide

4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide (PubChem CID 69327635) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide
PubChem CID69327635
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(NCCCC(N)=O)n2)n1
InChIInChI=1S/C21H21N7O/c1-14-6-4-7-15(25-14)19-20(28-13-3-2-9-18(28)27-19)16-10-12-24-21(26-16)23-11-5-8-17(22)29/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,22,29)(H,23,24,26)
InChIKeySBSTUXLQDWSQAF-UHFFFAOYSA-N
XLogP2.84
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide?
The IUPAC name of 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide (CID 69327635) is 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide.
What is the SMILES notation for 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide?
The canonical SMILES for 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide is Cc1cccc(-c2nc3ccccn3c2-c2ccnc(NCCCC(N)=O)n2)n1.
What is the InChIKey of 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide?
The InChIKey is SBSTUXLQDWSQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14-6-4-7-15(25-14)19-20(28-13-3-2-9-18(28)27-19)16-10-12-24-21(26-16)23-11-5-8-17(22)29/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H2,22,29)(H,23,24,26).
What are the key properties of 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide?
4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide has a molecular weight of 387.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide is sourced from PubChem (CID 69327635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).