2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane

C19H28F3N3O2 — CID 143085783

IUPAC2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane
SMILESCCCC.N[C@@H]1CC[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C15H18F3N3O2.C4H10/c16-15(17,18)10-6-12-8-20(3-4-21(12)13(22)7-10)14(23)9-1-2-11(19)5-9;1-3-4-2/h6-7,9,11H,1-5,8,19H2;3-4H2,1-2H3/t9-,11+;/m0./s1
InChIKeyNDNIRCSUFKBEQF-QLSWKGBWSA-N
MW387.45 g/mol
LogP3.14
Rot. Bonds2

About 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane

2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane (PubChem CID 143085783) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane.

Molecular Properties

Compound Name2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane
PubChem CID143085783
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane
SMILESCCCC.N[C@@H]1CC[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C15H18F3N3O2.C4H10/c16-15(17,18)10-6-12-8-20(3-4-21(12)13(22)7-10)14(23)9-1-2-11(19)5-9;1-3-4-2/h6-7,9,11H,1-5,8,19H2;3-4H2,1-2H3/t9-,11+;/m0./s1
InChIKeyNDNIRCSUFKBEQF-QLSWKGBWSA-N
XLogP3.14
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3R)-3-amino-N-[[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 57839018
2-[(1S,4S)-4-amino-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916485
2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916493
tert-butyl N-[(1R,3S)-3-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine-2-carbonyl]-3-propan-2-ylcyclopentyl]carbamate
CID 58916496
2-[(1S)-1-ethyl-3-[[(3S,4S)-3-methyloxan-4-yl]amino]cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916498
tert-butyl N-[(1R,3S)-3-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine-2-carbonyl]-3-(2,2,2-trifluoroethyl)cyclopentyl]carbamate
CID 58916512
2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916522
2-[(1S,3R)-1-ethyl-3-[[(3S)-3-methyloxan-4-yl]amino]cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 71180340
2-[(1S,4S)-4-amino-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-9-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 71181057
6-[3-(Oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
CID 142943079
6-[3-(Oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane
CID 142943128
Ethane;6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane
CID 142976803

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane?
The IUPAC name of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane (CID 143085783) is 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane.
What is the SMILES notation for 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane?
The canonical SMILES for 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane is CCCC.N[C@@H]1CC[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1.
What is the InChIKey of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane?
The InChIKey is NDNIRCSUFKBEQF-QLSWKGBWSA-N. The full InChI is InChI=1S/C15H18F3N3O2.C4H10/c16-15(17,18)10-6-12-8-20(3-4-21(12)13(22)7-10)14(23)9-1-2-11(19)5-9;1-3-4-2/h6-7,9,11H,1-5,8,19H2;3-4H2,1-2H3/t9-,11+;/m0./s1.
What are the key properties of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane?
2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane has a molecular weight of 387.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;butane is sourced from PubChem (CID 143085783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).