2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C22H25N5O4 — CID 123604955

IUPAC2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)C(NC(C)=O)CCC4)nc12
InChIInChI=1S/C22H25N5O4/c1-12(28)25-18-6-4-5-14-7-8-15(9-16(14)18)31-19-11-24-21-20(27-19)17(10-23-21)22(29)26-13(2)30-3/h7-11,13,18H,4-6H2,1-3H3,(H,23,24)(H,25,28)(H,26,29)
InChIKeyHCJQJAJYEGEHEF-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.99
Rot. Bonds6

About 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 123604955) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID123604955
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)C(NC(C)=O)CCC4)nc12
InChIInChI=1S/C22H25N5O4/c1-12(28)25-18-6-4-5-14-7-8-15(9-16(14)18)31-19-11-24-21-20(27-19)17(10-23-21)22(29)26-13(2)30-3/h7-11,13,18H,4-6H2,1-3H3,(H,23,24)(H,25,28)(H,26,29)
InChIKeyHCJQJAJYEGEHEF-UHFFFAOYSA-N
XLogP2.99
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522324
N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 173048407
2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67009123
N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123404184
N-[(2S)-butan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522148
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1R)-1-cyclopropylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71602262
1-aminoethyl 2-(3-cyanophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 67009419
N-[(1S,2R)-2-aminocyclohexyl]-2-[3-(prop-2-enoylamino)phenoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118641797
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
N-(1-methoxypropan-2-yl)-2-[(1-prop-2-enoylpyrrolidin-2-yl)methoxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 137370958

Frequently Asked Questions

What is the IUPAC name of 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 123604955) is 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)C(NC(C)=O)CCC4)nc12.
What is the InChIKey of 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HCJQJAJYEGEHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-12(28)25-18-6-4-5-14-7-8-15(9-16(14)18)31-19-11-24-21-20(27-19)17(10-23-21)22(29)26-13(2)30-3/h7-11,13,18H,4-6H2,1-3H3,(H,23,24)(H,25,28)(H,26,29).
What are the key properties of 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 123604955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).