[(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate

C25H28N4O4 — CID 11476417

IUPAC[(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCn1c(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)c(C)nc(-c2ccc(OC)nc2C)c1=O
InChIInChI=1S/C25H28N4O4/c1-6-29-24(28-22-19-10-8-7-9-17(19)13-20(22)33-16(4)30)15(3)27-23(25(29)31)18-11-12-21(32-5)26-14(18)2/h7-12,20,22,28H,6,13H2,1-5H3/t20-,22+/m0/s1
InChIKeyPMPCWPRKQPEYCM-RBBKRZOGSA-N
MW448.52 g/mol
LogP3.59
Rot. Bonds6

About [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate

[(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 11476417) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID11476417
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name[(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCn1c(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)c(C)nc(-c2ccc(OC)nc2C)c1=O
InChIInChI=1S/C25H28N4O4/c1-6-29-24(28-22-19-10-8-7-9-17(19)13-20(22)33-16(4)30)15(3)27-23(25(29)31)18-11-12-21(32-5)26-14(18)2/h7-12,20,22,28H,6,13H2,1-5H3/t20-,22+/m0/s1
InChIKeyPMPCWPRKQPEYCM-RBBKRZOGSA-N
XLogP3.59
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate (CID 11476417) is [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate is CCn1c(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)c(C)nc(-c2ccc(OC)nc2C)c1=O.
What is the InChIKey of [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is PMPCWPRKQPEYCM-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-6-29-24(28-22-19-10-8-7-9-17(19)13-20(22)33-16(4)30)15(3)27-23(25(29)31)18-11-12-21(32-5)26-14(18)2/h7-12,20,22,28H,6,13H2,1-5H3/t20-,22+/m0/s1.
What are the key properties of [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
[(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 448.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[[1-ethyl-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 11476417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).