ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide

C20H24FN5O3 — CID 143830516

IUPACethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
SMILESC=COCCONC(=O)c1ncc2cncn2c1Nc1ccc(C)cc1F.CC
InChIInChI=1S/C18H18FN5O3.C2H6/c1-3-26-6-7-27-23-18(25)16-17(24-11-20-9-13(24)10-21-16)22-15-5-4-12(2)8-14(15)19;1-2/h3-5,8-11,22H,1,6-7H2,2H3,(H,23,25);1-2H3
InChIKeyXYOLSNYTVXEIEI-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.77
Rot. Bonds8

About ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide

ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide (PubChem CID 143830516) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
PubChem CID143830516
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC Nameethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
SMILESC=COCCONC(=O)c1ncc2cncn2c1Nc1ccc(C)cc1F.CC
InChIInChI=1S/C18H18FN5O3.C2H6/c1-3-26-6-7-27-23-18(25)16-17(24-11-20-9-13(24)10-21-16)22-15-5-4-12(2)8-14(15)19;1-2/h3-5,8-11,22H,1,6-7H2,2H3,(H,23,25);1-2H3
InChIKeyXYOLSNYTVXEIEI-UHFFFAOYSA-N
XLogP3.77
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550
5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
CID 129073413
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
CID 87427349
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 143439029
8-[(2-amino-3-fluoro-4-pyridinyl)methyl]-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 163538976
6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826352
N-(2-ethenoxyethoxy)-4-(4-ethyl-2-fluoroanilino)-1,2-benzothiazole-5-carboxamide
CID 91321951
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-5-methyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 86671098
N-(2-ethenoxyethoxy)-4-(2-fluoro-4-iodoanilino)-1,2-benzothiazole-5-carboxamide
CID 86656247

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide (CID 143830516) is ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide is C=COCCONC(=O)c1ncc2cncn2c1Nc1ccc(C)cc1F.CC.
What is the InChIKey of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is XYOLSNYTVXEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3.C2H6/c1-3-26-6-7-27-23-18(25)16-17(24-11-20-9-13(24)10-21-16)22-15-5-4-12(2)8-14(15)19;1-2/h3-5,8-11,22H,1,6-7H2,2H3,(H,23,25);1-2H3.
What are the key properties of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide?
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 143830516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).