[2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

C25H23F5N4O3 — CID 150581984

IUPAC[2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ncc(C(F)(F)F)cc1C1CCc2nc(C(=O)N3CCOC(c4ccc(F)cc4F)C3)cn2C1
InChIInChI=1S/C25H23F5N4O3/c1-36-23-18(8-15(10-31-23)25(28,29)30)14-2-5-22-32-20(12-34(22)11-14)24(35)33-6-7-37-21(13-33)17-4-3-16(26)9-19(17)27/h3-4,8-10,12,14,21H,2,5-7,11,13H2,1H3
InChIKeyIOAGBECBLLJYJW-UHFFFAOYSA-N
MW522.47 g/mol
LogP4.53
Rot. Bonds4

About [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

[2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 150581984) has the molecular formula C25H23F5N4O3 and a molecular weight of 522.47 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID150581984
Molecular FormulaC25H23F5N4O3
Molecular Weight522.47 g/mol
Exact Mass522.17
IUPAC Name[2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ncc(C(F)(F)F)cc1C1CCc2nc(C(=O)N3CCOC(c4ccc(F)cc4F)C3)cn2C1
InChIInChI=1S/C25H23F5N4O3/c1-36-23-18(8-15(10-31-23)25(28,29)30)14-2-5-22-32-20(12-34(22)11-14)24(35)33-6-7-37-21(13-33)17-4-3-16(26)9-19(17)27/h3-4,8-10,12,14,21H,2,5-7,11,13H2,1H3
InChIKeyIOAGBECBLLJYJW-UHFFFAOYSA-N
XLogP4.53
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (CID 150581984) is [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is COc1ncc(C(F)(F)F)cc1C1CCc2nc(C(=O)N3CCOC(c4ccc(F)cc4F)C3)cn2C1.
What is the InChIKey of [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is IOAGBECBLLJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N4O3/c1-36-23-18(8-15(10-31-23)25(28,29)30)14-2-5-22-32-20(12-34(22)11-14)24(35)33-6-7-37-21(13-33)17-4-3-16(26)9-19(17)27/h3-4,8-10,12,14,21H,2,5-7,11,13H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
[2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 522.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)morpholin-4-yl]-[6-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 150581984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).