(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine

C23H29ClN6O2 — CID 153331546

IUPAC(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine
SMILESC=CO/N=C(/C)C(C)C.C[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCO1
InChIInChI=1S/C16H16ClN5O.C7H13NO/c1-11-9-21(6-7-23-11)15-4-5-18-16(20-15)13-8-19-14-3-2-12(17)10-22(13)14;1-5-9-8-7(4)6(2)3/h2-5,8,10-11H,6-7,9H2,1H3;5-6H,1H2,2-4H3/b;8-7-/t11-;/m0./s1
InChIKeyFUVWKYWCUKFTOE-WGLXSPQZSA-N
MW456.98 g/mol
LogP4.85
Rot. Bonds5

About (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine

(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine (PubChem CID 153331546) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine.

Molecular Properties

Compound Name(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine
PubChem CID153331546
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine
SMILESC=CO/N=C(/C)C(C)C.C[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCO1
InChIInChI=1S/C16H16ClN5O.C7H13NO/c1-11-9-21(6-7-23-11)15-4-5-18-16(20-15)13-8-19-14-3-2-12(17)10-22(13)14;1-5-9-8-7(4)6(2)3/h2-5,8,10-11H,6-7,9H2,1H3;5-6H,1H2,2-4H3/b;8-7-/t11-;/m0./s1
InChIKeyFUVWKYWCUKFTOE-WGLXSPQZSA-N
XLogP4.85
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 139357007
1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344807
(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
(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine
CID 139344427
[(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
N-[[(2S)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 139359425
[3-[4-[2-(1H-pyrazol-4-yl)morpholin-4-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]methanamine
CID 167201790
2-pyridin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139359763
6-ethenyl-3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358876
6-(difluoromethyl)-3-[4-(3-methylazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 153331406
(2R,6S)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)morpholine
CID 139344284

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine?
The IUPAC name of (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) is (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine.
What is the SMILES notation for (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine?
The canonical SMILES for (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine is C=CO/N=C(/C)C(C)C.C[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)CCO1.
What is the InChIKey of (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine?
The InChIKey is FUVWKYWCUKFTOE-WGLXSPQZSA-N. The full InChI is InChI=1S/C16H16ClN5O.C7H13NO/c1-11-9-21(6-7-23-11)15-4-5-18-16(20-15)13-8-19-14-3-2-12(17)10-22(13)14;1-5-9-8-7(4)6(2)3/h2-5,8,10-11H,6-7,9H2,1H3;5-6H,1H2,2-4H3/b;8-7-/t11-;/m0./s1.
What are the key properties of (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine?
(2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine has a molecular weight of 456.98 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methylmorpholine;(Z)-N-ethenoxy-3-methylbutan-2-imine is sourced from PubChem (CID 153331546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).