(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C24H25F3N6O2 — CID 20678782

IUPAC(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@@H](c3ccccc3)C(F)(F)F)c(=O)n21
InChIInChI=1S/C24H25F3N6O2/c1-14-16(7-10-20(28)32-14)11-31-22(34)19-9-8-17-12-29-21(23(35)33(17)19)30-13-18(24(25,26)27)15-5-3-2-4-6-15/h2-7,10,12,18-19H,8-9,11,13H2,1H3,(H2,28,32)(H,29,30)(H,31,34)/t18-,19-/m0/s1
InChIKeySLUZQPHRFNPHMR-OALUTQOASA-N
MW486.50 g/mol
LogP3.09
Rot. Bonds7

About (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 20678782) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID20678782
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@@H](c3ccccc3)C(F)(F)F)c(=O)n21
InChIInChI=1S/C24H25F3N6O2/c1-14-16(7-10-20(28)32-14)11-31-22(34)19-9-8-17-12-29-21(23(35)33(17)19)30-13-18(24(25,26)27)15-5-3-2-4-6-15/h2-7,10,12,18-19H,8-9,11,13H2,1H3,(H2,28,32)(H,29,30)(H,31,34)/t18-,19-/m0/s1
InChIKeySLUZQPHRFNPHMR-OALUTQOASA-N
XLogP3.09
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 20678782) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC[C@@H](c3ccccc3)C(F)(F)F)c(=O)n21.
What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SLUZQPHRFNPHMR-OALUTQOASA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-14-16(7-10-20(28)32-14)11-31-22(34)19-9-8-17-12-29-21(23(35)33(17)19)30-13-18(24(25,26)27)15-5-3-2-4-6-15/h2-7,10,12,18-19H,8-9,11,13H2,1H3,(H2,28,32)(H,29,30)(H,31,34)/t18-,19-/m0/s1.
What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-[[(2R)-3,3,3-trifluoro-2-phenylpropyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 20678782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).