(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine

C18H18ClN7O — CID 153331529

IUPAC(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCO1
InChIInChI=1S/C18H18ClN7O/c19-13-1-2-16-23-9-14(26(16)10-13)18-22-4-3-17(24-18)25-5-6-27-15(11-25)12(7-20)8-21/h1-4,7-10,15,20H,5-6,11,21H2/b12-8+,20-7+
InChIKeyGGWNHXXFKFHYEV-LYFJVTTPSA-N
MW383.84 g/mol
LogP2.14
Rot. Bonds4

About (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine

(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 153331529) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID153331529
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCO1
InChIInChI=1S/C18H18ClN7O/c19-13-1-2-16-23-9-14(26(16)10-13)18-22-4-3-17(24-18)25-5-6-27-15(11-25)12(7-20)8-21/h1-4,7-10,15,20H,5-6,11,21H2/b12-8+,20-7+
InChIKeyGGWNHXXFKFHYEV-LYFJVTTPSA-N
XLogP2.14
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine with MolForge

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Related Compounds

(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 139357007
(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine
CID 153331546
1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
(Z)-2-[(8aS)-2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]-3-iminoprop-1-en-1-amine
CID 139357773
(Z)-2-[4-[2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 139358440
[(E)-3-amino-2-[4-[2-(6-chloroimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]-3-methylmorpholin-2-yl]prop-2-enylidene]azanium
CID 153330893
(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane
CID 153330909
2-pyridin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139359763
(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-(5-fluoro-1H-pyrazol-4-yl)-6-methylmorpholine
CID 139344691
ethane;(Z)-4-iminobut-2-en-2-amine;3-[4-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153331635
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139359425

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine (CID 153331529) is (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCO1.
What is the InChIKey of (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is GGWNHXXFKFHYEV-LYFJVTTPSA-N. The full InChI is InChI=1S/C18H18ClN7O/c19-13-1-2-16-23-9-14(26(16)10-13)18-22-4-3-17(24-18)25-5-6-27-15(11-25)12(7-20)8-21/h1-4,7-10,15,20H,5-6,11,21H2/b12-8+,20-7+.
What are the key properties of (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine?
(E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 383.84 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]morpholin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 153331529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).