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

C28H30N8O2 — CID 20678728

IUPAC(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC(Cc3ccccn3)Cc3ccccn3)c(=O)n21
InChIInChI=1S/C28H30N8O2/c1-18-19(8-11-25(29)34-18)16-33-27(37)24-10-9-23-17-32-26(28(38)36(23)24)35-22(14-20-6-2-4-12-30-20)15-21-7-3-5-13-31-21/h2-8,11-13,17,22,24H,9-10,14-16H2,1H3,(H2,29,34)(H,32,35)(H,33,37)/t24-/m0/s1
InChIKeyFYBNVNZQTLHZPF-DEOSSOPVSA-N
MW510.60 g/mol
LogP2.39
Rot. Bonds9

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

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 20678728) has the molecular formula C28H30N8O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-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]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID20678728
Molecular FormulaC28H30N8O2
Molecular Weight510.60 g/mol
Exact Mass510.25
IUPAC Name(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC(Cc3ccccn3)Cc3ccccn3)c(=O)n21
InChIInChI=1S/C28H30N8O2/c1-18-19(8-11-25(29)34-18)16-33-27(37)24-10-9-23-17-32-26(28(38)36(23)24)35-22(14-20-6-2-4-12-30-20)15-21-7-3-5-13-31-21/h2-8,11-13,17,22,24H,9-10,14-16H2,1H3,(H2,29,34)(H,32,35)(H,33,37)/t24-/m0/s1
InChIKeyFYBNVNZQTLHZPF-DEOSSOPVSA-N
XLogP2.39
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-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]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-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]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 20678728) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-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]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-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]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NC(Cc3ccccn3)Cc3ccccn3)c(=O)n21.
What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is FYBNVNZQTLHZPF-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H30N8O2/c1-18-19(8-11-25(29)34-18)16-33-27(37)24-10-9-23-17-32-26(28(38)36(23)24)35-22(14-20-6-2-4-12-30-20)15-21-7-3-5-13-31-21/h2-8,11-13,17,22,24H,9-10,14-16H2,1H3,(H2,29,34)(H,32,35)(H,33,37)/t24-/m0/s1.
What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-(1,3-dipyridin-2-ylpropan-2-ylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 20678728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).