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

C23H26N4O3 — CID 58522148

IUPACN-[(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
SMILESCC[C@H](C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)CC[C@H]4CC(C)=O)nc12
InChIInChI=1S/C23H26N4O3/c1-4-13(2)26-23(29)19-11-24-22-21(19)27-20(12-25-22)30-17-7-8-18-15(9-14(3)28)5-6-16(18)10-17/h7-8,10-13,15H,4-6,9H2,1-3H3,(H,24,25)(H,26,29)/t13-,15-/m0/s1
InChIKeyFRFLDKVCBITZSH-ZFWWWQNUSA-N
MW406.49 g/mol
LogP4.29
Rot. Bonds7

About 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

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 (PubChem CID 58522148) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID58522148
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(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
SMILESCC[C@H](C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)CC[C@H]4CC(C)=O)nc12
InChIInChI=1S/C23H26N4O3/c1-4-13(2)26-23(29)19-11-24-22-21(19)27-20(12-25-22)30-17-7-8-18-15(9-14(3)28)5-6-16(18)10-17/h7-8,10-13,15H,4-6,9H2,1-3H3,(H,24,25)(H,26,29)/t13-,15-/m0/s1
InChIKeyFRFLDKVCBITZSH-ZFWWWQNUSA-N
XLogP4.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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
N-(6-(pyrimidin-5-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44250360
1-[4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 46208210
4-[3-[4-(1H-benzimidazole-2-carbonyl)phenoxy]pyrazin-2-yl]-1-methylpiperazin-2-one
CID 46208470
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
N-(4-ethoxy-3-pyridinyl)-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766969
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](C)NC(=O)c1c[nH]c2ncc(Oc3ccc4c(c3)CC[C@H]4CC(C)=O)nc12.
What is the InChIKey of 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?
The InChIKey is FRFLDKVCBITZSH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-4-13(2)26-23(29)19-11-24-22-21(19)27-20(12-25-22)30-17-7-8-18-15(9-14(3)28)5-6-16(18)10-17/h7-8,10-13,15H,4-6,9H2,1-3H3,(H,24,25)(H,26,29)/t13-,15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 406.49 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-[(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 is sourced from PubChem (CID 58522148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).