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

C23H25ClN6O2 — CID 177114884

IUPAC(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccccc1CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)CC2
InChIInChI=1S/C23H25ClN6O2/c1-13-5-3-4-6-15(13)11-26-21-23(32)30-17(20(24)29-21)8-9-18(30)22(31)27-12-16-7-10-19(25)28-14(16)2/h3-7,10,18H,8-9,11-12H2,1-2H3,(H2,25,28)(H,26,29)(H,27,31)/t18-/m0/s1
InChIKeyLUZJXKXAHWAVRK-SFHVURJKSA-N
MW452.95 g/mol
LogP2.91
Rot. Bonds6

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

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 177114884) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID177114884
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccccc1CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)CC2
InChIInChI=1S/C23H25ClN6O2/c1-13-5-3-4-6-15(13)11-26-21-23(32)30-17(20(24)29-21)8-9-18(30)22(31)27-12-16-7-10-19(25)28-14(16)2/h3-7,10,18H,8-9,11-12H2,1-2H3,(H2,25,28)(H,26,29)(H,27,31)/t18-/m0/s1
InChIKeyLUZJXKXAHWAVRK-SFHVURJKSA-N
XLogP2.91
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-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]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 177114884) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-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]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1ccccc1CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(N)nc1C)CC2.
What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is LUZJXKXAHWAVRK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-13-5-3-4-6-15(13)11-26-21-23(32)30-17(20(24)29-21)8-9-18(30)22(31)27-12-16-7-10-19(25)28-14(16)2/h3-7,10,18H,8-9,11-12H2,1-2H3,(H2,25,28)(H,26,29)(H,27,31)/t18-/m0/s1.
What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 2.91, 6 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]-1-chloro-3-[(2-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 177114884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).