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

C21H29FN4O3 — CID 143830550

IUPACethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
SMILESC=COCCONC(=O)c1ccc2cncn2c1Nc1ccc(C)cc1F.CC.[H][H].[H][H]
InChIInChI=1S/C19H19FN4O3.C2H6.2H2/c1-3-26-8-9-27-23-19(25)15-6-5-14-11-21-12-24(14)18(15)22-17-7-4-13(2)10-16(17)20;1-2;;/h3-7,10-12,22H,1,8-9H2,2H3,(H,23,25);1-2H3;2*1H
InChIKeyGZXNTNVJDAQFHZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.87
Rot. Bonds8

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

ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen (PubChem CID 143830550) has the molecular formula C21H29FN4O3 and a molecular weight of 404.49 g/mol. Its IUPAC name is ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
PubChem CID143830550
Molecular FormulaC21H29FN4O3
Molecular Weight404.49 g/mol
Exact Mass404.22
IUPAC Nameethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
SMILESC=COCCONC(=O)c1ccc2cncn2c1Nc1ccc(C)cc1F.CC.[H][H].[H][H]
InChIInChI=1S/C19H19FN4O3.C2H6.2H2/c1-3-26-8-9-27-23-19(25)15-6-5-14-11-21-12-24(14)18(15)22-17-7-4-13(2)10-16(17)20;1-2;;/h3-7,10-12,22H,1,8-9H2,2H3,(H,23,25);1-2H3;2*1H
InChIKeyGZXNTNVJDAQFHZ-UHFFFAOYSA-N
XLogP4.87
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyrazine-6-carboxamide
CID 143830516
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
CID 129073413
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
N-(2-ethenoxyethoxy)-4-(4-ethyl-2-fluoroanilino)-1,2-benzothiazole-5-carboxamide
CID 91321951
2-[[5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carbonyl]amino]oxyethyl 4-[[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 123998384
N-(2-ethenoxyethoxy)-4-(2-fluoro-4-iodoanilino)-1,2-benzothiazole-5-carboxamide
CID 86656247
N-(2-ethenoxyethoxy)-6-(2-fluoro-4-iodoanilino)-3,5-dimethyl-4-oxo-[1,2]oxazolo[4,5-c]pyridine-7-carboxamide
CID 87427349
7-(4-cyclopropyl-2-fluoroanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-c]pyrimidine-6-carboxamide
CID 88936274
N-(2-ethenoxyethoxy)-3,4-difluoro-2-[2-fluoro-4-(3-iodopropyl)anilino]benzamide
CID 22025689
8-[(2-amino-3-fluoro-4-pyridinyl)methyl]-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 163538976

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen (CID 143830550) is ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen is C=COCCONC(=O)c1ccc2cncn2c1Nc1ccc(C)cc1F.CC.[H][H].[H][H].
What is the InChIKey of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen?
The InChIKey is GZXNTNVJDAQFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3.C2H6.2H2/c1-3-26-8-9-27-23-19(25)15-6-5-14-11-21-12-24(14)18(15)22-17-7-4-13(2)10-16(17)20;1-2;;/h3-7,10-12,22H,1,8-9H2,2H3,(H,23,25);1-2H3;2*1H.
What are the key properties of ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen?
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen has a molecular weight of 404.49 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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]pyridine-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 143830550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).