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

C25H28N4O3 — CID 58525272

IUPACN-cyclohexyl-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)NC5CCCCC5)c4n3)cc21
InChIInChI=1S/C25H28N4O3/c1-15(30)11-17-8-7-16-9-10-19(12-20(16)17)32-22-14-27-24-23(29-22)21(13-26-24)25(31)28-18-5-3-2-4-6-18/h9-10,12-14,17-18H,2-8,11H2,1H3,(H,26,27)(H,28,31)/t17-/m0/s1
InChIKeyQWEFRUHFOPHGJC-KRWDZBQOSA-N
MW432.52 g/mol
LogP4.82
Rot. Bonds6

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

N-cyclohexyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58525272) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclohexyl-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-cyclohexyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58525272
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-cyclohexyl-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)NC5CCCCC5)c4n3)cc21
InChIInChI=1S/C25H28N4O3/c1-15(30)11-17-8-7-16-9-10-19(12-20(16)17)32-22-14-27-24-23(29-22)21(13-26-24)25(31)28-18-5-3-2-4-6-18/h9-10,12-14,17-18H,2-8,11H2,1H3,(H,26,27)(H,28,31)/t17-/m0/s1
InChIKeyQWEFRUHFOPHGJC-KRWDZBQOSA-N
XLogP4.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-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

Amg 579
CID 59351313
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-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10154537
(7-Benzyloxy-1H-indol-3-yl)-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-phenyl]-methanone
CID 10695777
4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
CID 25010703
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-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-cyclohexyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58525272) is N-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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)NC5CCCCC5)c4n3)cc21.
What is the InChIKey of N-cyclohexyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QWEFRUHFOPHGJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-15(30)11-17-8-7-16-9-10-19(12-20(16)17)32-22-14-27-24-23(29-22)21(13-26-24)25(31)28-18-5-3-2-4-6-18/h9-10,12-14,17-18H,2-8,11H2,1H3,(H,26,27)(H,28,31)/t17-/m0/s1.
What are the key properties of N-cyclohexyl-2-[[(3S)-3-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-cyclohexyl-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 432.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-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 58525272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).