2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

C25H36F3N3O3 — CID 58916491

IUPAC2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCC(C)[C@]1(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)CCC(N(C)[C@H]2CCOC[C@H]2C)C1
InChIInChI=1S/C25H36F3N3O3/c1-16(2)24(7-5-19(13-24)29(4)21-6-10-34-15-17(21)3)23(33)30-8-9-31-20(14-30)11-18(12-22(31)32)25(26,27)28/h11-12,16-17,19,21H,5-10,13-15H2,1-4H3/t17-,19?,21+,24+/m1/s1
InChIKeyURCWKDIQSVRQMD-JRCHOCJPSA-N
MW483.58 g/mol
LogP3.76
Rot. Bonds4

About 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 58916491) has the molecular formula C25H36F3N3O3 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID58916491
Molecular FormulaC25H36F3N3O3
Molecular Weight483.58 g/mol
Exact Mass483.27
IUPAC Name2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCC(C)[C@]1(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)CCC(N(C)[C@H]2CCOC[C@H]2C)C1
InChIInChI=1S/C25H36F3N3O3/c1-16(2)24(7-5-19(13-24)29(4)21-6-10-34-15-17(21)3)23(33)30-8-9-31-20(14-30)11-18(12-22(31)32)25(26,27)28/h11-12,16-17,19,21H,5-10,13-15H2,1-4H3/t17-,19?,21+,24+/m1/s1
InChIKeyURCWKDIQSVRQMD-JRCHOCJPSA-N
XLogP3.76
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one 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,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
2-[(1S)-3-[[(3R,4R)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916492

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 58916491) is 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is CC(C)[C@]1(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)CCC(N(C)[C@H]2CCOC[C@H]2C)C1.
What is the InChIKey of 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is URCWKDIQSVRQMD-JRCHOCJPSA-N. The full InChI is InChI=1S/C25H36F3N3O3/c1-16(2)24(7-5-19(13-24)29(4)21-6-10-34-15-17(21)3)23(33)30-8-9-31-20(14-30)11-18(12-22(31)32)25(26,27)28/h11-12,16-17,19,21H,5-10,13-15H2,1-4H3/t17-,19?,21+,24+/m1/s1.
What are the key properties of 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 483.58 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-[methyl-[(3S,4S)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 58916491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).