6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide

C17H16F2N4O3 — CID 143826352

IUPAC6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCO)c(F)n3ccncc23)c(F)c1
InChIInChI=1S/C17H16F2N4O3/c1-10-2-3-12(11(18)8-10)21-15-13-9-20-4-5-23(13)16(19)14(15)17(25)22-26-7-6-24/h2-5,8-9,21,24H,6-7H2,1H3,(H,22,25)
InChIKeyFLSZGPFRKCEJAF-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.32
Rot. Bonds6

About 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide

6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 143826352) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID143826352
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCc1ccc(Nc2c(C(=O)NOCCO)c(F)n3ccncc23)c(F)c1
InChIInChI=1S/C17H16F2N4O3/c1-10-2-3-12(11(18)8-10)21-15-13-9-20-4-5-23(13)16(19)14(15)17(25)22-26-7-6-24/h2-5,8-9,21,24H,6-7H2,1H3,(H,22,25)
InChIKeyFLSZGPFRKCEJAF-UHFFFAOYSA-N
XLogP2.32
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-2-carboxamide
CID 143686691
7-cyano-3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide;ethane
CID 143686852
1-[[3-(dimethylcarbamoyl)phenyl]methyl]-3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide
CID 143686646
4-(2-fluoro-4-methylanilino)-N-(3-hydroxypropoxy)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 143439029
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-(formamidomethyl)-N-(2-hydroxyethoxy)benzamide
CID 143173044
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-[(E)-pyridin-4-ylmethoxyiminomethyl]benzamide
CID 143019243
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-[(Z)-2-hydroxyethoxyiminomethyl]benzamide
CID 143019291
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 143826352) is 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide is Cc1ccc(Nc2c(C(=O)NOCCO)c(F)n3ccncc23)c(F)c1.
What is the InChIKey of 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is FLSZGPFRKCEJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-10-2-3-12(11(18)8-10)21-15-13-9-20-4-5-23(13)16(19)14(15)17(25)22-26-7-6-24/h2-5,8-9,21,24H,6-7H2,1H3,(H,22,25).
What are the key properties of 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide?
6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 362.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 143826352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).