9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C21H23F3N6O2 — CID 118091408

IUPAC9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(Cc1cn3ccccc3n1)C(C(F)(F)F)CC2
InChIInChI=1S/C21H23F3N6O2/c1-14-13-32-9-8-28(14)18-10-19(31)29-7-5-16(21(22,23)24)30(20(29)26-18)12-15-11-27-6-3-2-4-17(27)25-15/h2-4,6,10-11,14,16H,5,7-9,12-13H2,1H3
InChIKeyJOJOFDBFWFTZOE-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.46
Rot. Bonds3

About 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091408) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091408
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC Name9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1cc(=O)n2c(n1)N(Cc1cn3ccccc3n1)C(C(F)(F)F)CC2
InChIInChI=1S/C21H23F3N6O2/c1-14-13-32-9-8-28(14)18-10-19(31)29-7-5-16(21(22,23)24)30(20(29)26-18)12-15-11-27-6-3-2-4-17(27)25-15/h2-4,6,10-11,14,16H,5,7-9,12-13H2,1H3
InChIKeyJOJOFDBFWFTZOE-UHFFFAOYSA-N
XLogP2.46
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091396
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-5-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091705
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709433
(8S)-9-[(6-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709951
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,3-thiazol-2-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091522
tert-butyl 2-[(8S)-2-(3-methylmorpholin-4-yl)-4-oxo-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-9-yl]acetate
CID 118104510
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(2-propan-2-yloxy-3-pyridinyl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091363
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091506
9-(2-fluoro-3-methylbutyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091371
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091485
(8S)-8-tert-butyl-9-(2-fluoro-2-phenylethyl)-2-[(3R)-3-methylmorpholin-4-yl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 169032962
9-[2-(3-fluoro-2-pyridinyl)-2-oxoethyl]-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091657

Frequently Asked Questions

What is the IUPAC name of 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091408) is 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1cc(=O)n2c(n1)N(Cc1cn3ccccc3n1)C(C(F)(F)F)CC2.
What is the InChIKey of 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is JOJOFDBFWFTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-14-13-32-9-8-28(14)18-10-19(31)29-7-5-16(21(22,23)24)30(20(29)26-18)12-15-11-27-6-3-2-4-17(27)25-15/h2-4,6,10-11,14,16H,5,7-9,12-13H2,1H3.
What are the key properties of 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 448.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).