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

C24H34F3N3O4 — CID 58916497

IUPAC2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCO[C@@H]1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)(C(C)C)C1
InChIInChI=1S/C24H34F3N3O4/c1-15(2)23(6-4-17(12-23)28-19-5-9-34-14-20(19)33-3)22(32)29-7-8-30-18(13-29)10-16(11-21(30)31)24(25,26)27/h10-11,15,17,19-20,28H,4-9,12-14H2,1-3H3/t17-,19?,20-,23+/m1/s1
InChIKeyARDDIRWWXFNLQJ-DJXLVVDXSA-N
MW485.55 g/mol
LogP2.80
Rot. Bonds5

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

2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 58916497) has the molecular formula C24H34F3N3O4 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-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,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID58916497
Molecular FormulaC24H34F3N3O4
Molecular Weight485.55 g/mol
Exact Mass485.25
IUPAC Name2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCO[C@@H]1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)(C(C)C)C1
InChIInChI=1S/C24H34F3N3O4/c1-15(2)23(6-4-17(12-23)28-19-5-9-34-14-20(19)33-3)22(32)29-7-8-30-18(13-29)10-16(11-21(30)31)24(25,26)27/h10-11,15,17,19-20,28H,4-9,12-14H2,1-3H3/t17-,19?,20-,23+/m1/s1
InChIKeyARDDIRWWXFNLQJ-DJXLVVDXSA-N
XLogP2.80
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-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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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-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,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 58916497) is 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-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,3R)-3-[[(3S)-3-methoxyoxan-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,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is CO[C@@H]1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)(C(C)C)C1.
What is the InChIKey of 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is ARDDIRWWXFNLQJ-DJXLVVDXSA-N. The full InChI is InChI=1S/C24H34F3N3O4/c1-15(2)23(6-4-17(12-23)28-19-5-9-34-14-20(19)33-3)22(32)29-7-8-30-18(13-29)10-16(11-21(30)31)24(25,26)27/h10-11,15,17,19-20,28H,4-9,12-14H2,1-3H3/t17-,19?,20-,23+/m1/s1.
What are the key properties of 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-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 485.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-[[(3S)-3-methoxyoxan-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 58916497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).