2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane

C23H34F3N3O3 — CID 143085670

IUPAC2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
SMILESCCC.O=C([C@H]1CC[C@@H](NC2CCOCC2)C1)N1CCn2c(cc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C20H26F3N3O3.C3H8/c21-20(22,23)14-10-17-12-25(5-6-26(17)18(27)11-14)19(28)13-1-2-16(9-13)24-15-3-7-29-8-4-15;1-3-2/h10-11,13,15-16,24H,1-9,12H2;3H2,1-2H3/t13-,16+;/m0./s1
InChIKeyFQBLAHXVXCALIZ-MELYUZJYSA-N
MW457.54 g/mol
LogP3.56
Rot. Bonds3

About 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane

2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane (PubChem CID 143085670) has the molecular formula C23H34F3N3O3 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane.

Molecular Properties

Compound Name2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
PubChem CID143085670
Molecular FormulaC23H34F3N3O3
Molecular Weight457.54 g/mol
Exact Mass457.26
IUPAC Name2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
SMILESCCC.O=C([C@H]1CC[C@@H](NC2CCOCC2)C1)N1CCn2c(cc(C(F)(F)F)cc2=O)C1
InChIInChI=1S/C20H26F3N3O3.C3H8/c21-20(22,23)14-10-17-12-25(5-6-26(17)18(27)11-14)19(28)13-1-2-16(9-13)24-15-3-7-29-8-4-15;1-3-2/h10-11,13,15-16,24H,1-9,12H2;3H2,1-2H3/t13-,16+;/m0./s1
InChIKeyFQBLAHXVXCALIZ-MELYUZJYSA-N
XLogP3.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane with MolForge

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Related Compounds

2-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 11236399
2-[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 11295424
2-[(1S,4S)-4-[[(3R,4R)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 11408722
2-[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 11752293
(1S,3R)-3-(oxan-4-ylamino)-N-[[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 57839015
2-[(1S)-3-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916467
2-[(1S,4S)-4-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916468
2-[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916470
2-[(1S,3R)-3-[[(3R)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916471
2-[(1S,3R)-3-[[(3S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916472
2-[(1S)-3-[[(3R,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916481
2-[(1S,4S)-4-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916490

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
The IUPAC name of 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane (CID 143085670) is 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane.
What is the SMILES notation for 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
The canonical SMILES for 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane is CCC.O=C([C@H]1CC[C@@H](NC2CCOCC2)C1)N1CCn2c(cc(C(F)(F)F)cc2=O)C1.
What is the InChIKey of 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
The InChIKey is FQBLAHXVXCALIZ-MELYUZJYSA-N. The full InChI is InChI=1S/C20H26F3N3O3.C3H8/c21-20(22,23)14-10-17-12-25(5-6-26(17)18(27)11-14)19(28)13-1-2-16(9-13)24-15-3-7-29-8-4-15;1-3-2/h10-11,13,15-16,24H,1-9,12H2;3H2,1-2H3/t13-,16+;/m0./s1.
What are the key properties of 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane?
2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane has a molecular weight of 457.54 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane is sourced from PubChem (CID 143085670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).