5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine

C22H21ClN6O2 — CID 56680575

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H21ClN6O2/c1-30-19-6-5-15(28-8-10-31-11-9-28)12-17(19)26-22-25-13-16(23)21(27-22)18-14-24-20-4-2-3-7-29(18)20/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
InChIKeyORHPKBJEHAMSFA-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 56680575) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID56680575
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H21ClN6O2/c1-30-19-6-5-15(28-8-10-31-11-9-28)12-17(19)26-22-25-13-16(23)21(27-22)18-14-24-20-4-2-3-7-29(18)20/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
InChIKeyORHPKBJEHAMSFA-UHFFFAOYSA-N
XLogP4.03
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
2-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-(4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenoxy)piperidin-1-yl)ethanone
CID 45380893
4-(4-(5-Chloro-4-(imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazine-1-carboxamide
CID 45381640
[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 45381802
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-yl-pyrimidin-2-yl)amino]-3-methoxy-phenyl]piperazin-1-yl]ethanone
CID 53380818
1-[4-[4-[[5-Chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663313
1-(4-(4-(5-Chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamino)-3-methoxyphenyl)piperazin-1-yl)ethanone
CID 56663314
1-[4-[4-[[5-Chloro-4-[6-(dimethylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56663315
5-chloro-4-(imidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-(4-(2-(methylsulfonyl)ethyl)piperazin-1-yl)phenyl)pyrimidin-2-amine
CID 56663566
1-[4-[4-[[5-Chloro-4-[8-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56666742
1-[4-[4-[[5-Chloro-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56670168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 56680575) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine is COc1ccc(N2CCOCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is ORHPKBJEHAMSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-30-19-6-5-15(28-8-10-31-11-9-28)12-17(19)26-22-25-13-16(23)21(27-22)18-14-24-20-4-2-3-7-29(18)20/h2-7,12-14H,8-11H2,1H3,(H,25,26,27).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 436.90 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 56680575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).