N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide

C18H16N4O3 — CID 173048407

IUPACN-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCc2ccc(Oc3cnc4[nH]cc(C=O)c4n3)cc21
InChIInChI=1S/C18H16N4O3/c1-10(24)21-15-5-3-11-2-4-13(6-14(11)15)25-16-8-20-18-17(22-16)12(9-23)7-19-18/h2,4,6-9,15H,3,5H2,1H3,(H,19,20)(H,21,24)/t15-/m0/s1
InChIKeyDXZPIQGYEYPULV-HNNXBMFYSA-N
MW336.35 g/mol
LogP2.69
Rot. Bonds4

About N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide

N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 173048407) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID173048407
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCc2ccc(Oc3cnc4[nH]cc(C=O)c4n3)cc21
InChIInChI=1S/C18H16N4O3/c1-10(24)21-15-5-3-11-2-4-13(6-14(11)15)25-16-8-20-18-17(22-16)12(9-23)7-19-18/h2,4,6-9,15H,3,5H2,1H3,(H,19,20)(H,21,24)/t15-/m0/s1
InChIKeyDXZPIQGYEYPULV-HNNXBMFYSA-N
XLogP2.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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
7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 57328467
7-(methylamino)-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 70689446
2-(3,4-dimethoxyphenyl)-N-(1-hydroxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 44205825
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-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 173048407) is N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@H]1CCc2ccc(Oc3cnc4[nH]cc(C=O)c4n3)cc21.
What is the InChIKey of N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is DXZPIQGYEYPULV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10(24)21-15-5-3-11-2-4-13(6-14(11)15)25-16-8-20-18-17(22-16)12(9-23)7-19-18/h2,4,6-9,15H,3,5H2,1H3,(H,19,20)(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-[(7-formyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)oxy]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 173048407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).