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

C22H25N7O2 — CID 70048841

IUPAC(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21
InChIInChI=1S/C22H25N7O2/c1-14-15(5-8-19(23)28-14)12-27-21(30)18-7-6-17-13-26-20(22(31)29(17)18)25-11-9-16-4-2-3-10-24-16/h2-5,8,10,13,18H,6-7,9,11-12H2,1H3,(H2,23,28)(H,25,26)(H,27,30)/t18-/m0/s1
InChIKeyCNZKFDIFONNFBR-SFHVURJKSA-N
MW419.49 g/mol
LogP1.38
Rot. Bonds7

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

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 70048841) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-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-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID70048841
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21
InChIInChI=1S/C22H25N7O2/c1-14-15(5-8-19(23)28-14)12-27-21(30)18-7-6-17-13-26-20(22(31)29(17)18)25-11-9-16-4-2-3-10-24-16/h2-5,8,10,13,18H,6-7,9,11-12H2,1H3,(H2,23,28)(H,25,26)(H,27,30)/t18-/m0/s1
InChIKeyCNZKFDIFONNFBR-SFHVURJKSA-N
XLogP1.38
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-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-(2-pyridin-2-ylethylamino)-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-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 70048841) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-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-(2-pyridin-2-ylethylamino)-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-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NCCc3ccccn3)c(=O)n21.
What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is CNZKFDIFONNFBR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-15(5-8-19(23)28-14)12-27-21(30)18-7-6-17-13-26-20(22(31)29(17)18)25-11-9-16-4-2-3-10-24-16/h2-5,8,10,13,18H,6-7,9,11-12H2,1H3,(H2,23,28)(H,25,26)(H,27,30)/t18-/m0/s1.
What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-pyridin-2-ylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 70048841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).