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

C24H32F3N3O4 — CID 11329180

IUPAC2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCO[C@H]1COCC[C@H]1N[C@@H]1C=C[C@@](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)(C(C)C)C1
InChIInChI=1S/C24H32F3N3O4/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/h4,6,10-11,15,17,19-20,28H,5,7-9,12-14H2,1-3H3/t17-,19-,20+,23+/m1/s1
InChIKeyDDGOFCZVYVYUHD-DBBLALLESA-N
MW483.53 g/mol
LogP2.57
Rot. Bonds5

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

2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 11329180) has the molecular formula C24H32F3N3O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID11329180
Molecular FormulaC24H32F3N3O4
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC Name2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCO[C@H]1COCC[C@H]1N[C@@H]1C=C[C@@](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)(C(C)C)C1
InChIInChI=1S/C24H32F3N3O4/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/h4,6,10-11,15,17,19-20,28H,5,7-9,12-14H2,1-3H3/t17-,19-,20+,23+/m1/s1
InChIKeyDDGOFCZVYVYUHD-DBBLALLESA-N
XLogP2.57
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

CID 11295424
CID 11295424
CID 11408722
CID 11408722
CID 58916467
CID 58916467
CID 58916468
CID 58916468
CID 58916480
CID 58916480
CID 58916482
CID 58916482
CID 58916490
CID 58916490
CID 58916497
CID 58916497
CID 58916502
CID 58916502
CID 58916509
CID 58916509
CID 58916515
CID 58916515
CID 58916517
CID 58916517

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-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 11329180) is 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is CO[C@H]1COCC[C@H]1N[C@@H]1C=C[C@@](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)(C(C)C)C1.
What is the InChIKey of 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is DDGOFCZVYVYUHD-DBBLALLESA-N. The full InChI is InChI=1S/C24H32F3N3O4/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/h4,6,10-11,15,17,19-20,28H,5,7-9,12-14H2,1-3H3/t17-,19-,20+,23+/m1/s1.
What are the key properties of 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 483.53 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 11329180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).