[2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate

C26H21F6N5O3 — CID 140815732

IUPAC[2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate
SMILESCc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(-c3nccc(N4CCCC4)n3)n2c1OC(=O)C(F)(F)F
InChIInChI=1S/C26H21F6N5O3/c1-13-11-18(39-12-15-16(27)5-6-17(28)20(15)29)23-34-14(2)21(37(23)24(13)40-25(38)26(30,31)32)22-33-8-7-19(35-22)36-9-3-4-10-36/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyURFUYIKHCVEUSZ-UHFFFAOYSA-N
MW565.47 g/mol
LogP5.47
Rot. Bonds6

About [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate

[2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate (PubChem CID 140815732) has the molecular formula C26H21F6N5O3 and a molecular weight of 565.47 g/mol. Its IUPAC name is [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate
PubChem CID140815732
Molecular FormulaC26H21F6N5O3
Molecular Weight565.47 g/mol
Exact Mass565.15
IUPAC Name[2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate
SMILESCc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(-c3nccc(N4CCCC4)n3)n2c1OC(=O)C(F)(F)F
InChIInChI=1S/C26H21F6N5O3/c1-13-11-18(39-12-15-16(27)5-6-17(28)20(15)29)23-34-14(2)21(37(23)24(13)40-25(38)26(30,31)32)22-33-8-7-19(35-22)36-9-3-4-10-36/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyURFUYIKHCVEUSZ-UHFFFAOYSA-N
XLogP5.47
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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Methyl substituted pyrazole, 27
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6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
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Imidazopyridine-urea,42
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CID 92044504
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CID 134179269
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CID 164536645
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CID 25023785
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CID 25023786
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CID 155521814

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate (CID 140815732) is [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate is Cc1cc(OCc2c(F)ccc(F)c2F)c2nc(C)c(-c3nccc(N4CCCC4)n3)n2c1OC(=O)C(F)(F)F.
What is the InChIKey of [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate?
The InChIKey is URFUYIKHCVEUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N5O3/c1-13-11-18(39-12-15-16(27)5-6-17(28)20(15)29)23-34-14(2)21(37(23)24(13)40-25(38)26(30,31)32)22-33-8-7-19(35-22)36-9-3-4-10-36/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate?
[2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate has a molecular weight of 565.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-5-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140815732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).