5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide

C17H18FN5O3 — CID 129073413

IUPAC5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOC[C@H](C)O)ncc3cncn23)c(F)c1
InChIInChI=1S/C17H18FN5O3/c1-10-3-4-14(13(18)5-10)21-16-15(17(25)22-26-8-11(2)24)20-7-12-6-19-9-23(12)16/h3-7,9,11,21,24H,8H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyWEHJWTBAEGDJSG-NSHDSACASA-N
MW359.36 g/mol
LogP1.96
Rot. Bonds6

About 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide

5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide (PubChem CID 129073413) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
PubChem CID129073413
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOC[C@H](C)O)ncc3cncn23)c(F)c1
InChIInChI=1S/C17H18FN5O3/c1-10-3-4-14(13(18)5-10)21-16-15(17(25)22-26-8-11(2)24)20-7-12-6-19-9-23(12)16/h3-7,9,11,21,24H,8H2,1-2H3,(H,22,25)/t11-/m0/s1
InChIKeyWEHJWTBAEGDJSG-NSHDSACASA-N
XLogP1.96
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550
4-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922222
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689
N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476290
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
3,4-difluoro-N-(2-hydroxypropoxy)benzamide
CID 87738823
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
CID 115409670

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide (CID 129073413) is 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(Nc2c(C(=O)NOC[C@H](C)O)ncc3cncn23)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is WEHJWTBAEGDJSG-NSHDSACASA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-10-3-4-14(13(18)5-10)21-16-15(17(25)22-26-8-11(2)24)20-7-12-6-19-9-23(12)16/h3-7,9,11,21,24H,8H2,1-2H3,(H,22,25)/t11-/m0/s1.
What are the key properties of 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide?
5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylanilino)-N-[(2S)-2-hydroxypropoxy]imidazo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 129073413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).