N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H26N4O3 — CID 58522130

IUPACN-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(=O)C[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C)C5CC5)c4n3)cc21
InChIInChI=1S/C24H26N4O3/c1-13(29)9-17-6-5-16-7-8-18(10-19(16)17)31-21-12-26-23-22(28-21)20(11-25-23)24(30)27-14(2)15-3-4-15/h7-8,10-12,14-15,17H,3-6,9H2,1-2H3,(H,25,26)(H,27,30)/t14-,17-/m0/s1
InChIKeyWLDNXWLNAQKERW-YOEHRIQHSA-N
MW418.50 g/mol
LogP4.29
Rot. Bonds7

About N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522130) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522130
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(=O)C[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C)C5CC5)c4n3)cc21
InChIInChI=1S/C24H26N4O3/c1-13(29)9-17-6-5-16-7-8-18(10-19(16)17)31-21-12-26-23-22(28-21)20(11-25-23)24(30)27-14(2)15-3-4-15/h7-8,10-12,14-15,17H,3-6,9H2,1-2H3,(H,25,26)(H,27,30)/t14-,17-/m0/s1
InChIKeyWLDNXWLNAQKERW-YOEHRIQHSA-N
XLogP4.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 67008828
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673763
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-cyclopropyl-ethyl)-amide
CID 54674056
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 54674369
2-[[(3S)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522124
2-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522237
2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522238
2-(3,5-dimethoxyphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522276
2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522322
2-(3-cyanophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 58522377
2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522381
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1R)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67008690

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522130) is N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(=O)C[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@@H](C)C5CC5)c4n3)cc21.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WLDNXWLNAQKERW-YOEHRIQHSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-13(29)9-17-6-5-16-7-8-18(10-19(16)17)31-21-12-26-23-22(28-21)20(11-25-23)24(30)27-14(2)15-3-4-15/h7-8,10-12,14-15,17H,3-6,9H2,1-2H3,(H,25,26)(H,27,30)/t14-,17-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).