2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol

C19H23FN6O2 — CID 144540634

IUPAC2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol
SMILESCO.[H]/N=C(\c1cnc2[nH]cc(C(=O)NCCC)c2n1)c1ccc(F)cc1NC
InChIInChI=1S/C18H19FN6O.CH4O/c1-3-6-22-18(26)12-8-23-17-16(12)25-14(9-24-17)15(20)11-5-4-10(19)7-13(11)21-2;1-2/h4-5,7-9,20-21H,3,6H2,1-2H3,(H,22,26)(H,23,24);2H,1H3/b20-15-;
InChIKeyMEILXTDTDPNVIH-CRDKNBMZSA-N
MW386.43 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol (PubChem CID 144540634) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol.

Molecular Properties

Compound Name2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol
PubChem CID144540634
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol
SMILESCO.[H]/N=C(\c1cnc2[nH]cc(C(=O)NCCC)c2n1)c1ccc(F)cc1NC
InChIInChI=1S/C18H19FN6O.CH4O/c1-3-6-22-18(26)12-8-23-17-16(12)25-14(9-24-17)15(20)11-5-4-10(19)7-13(11)21-2;1-2/h4-5,7-9,20-21H,3,6H2,1-2H3,(H,22,26)(H,23,24);2H,1H3/b20-15-;
InChIKeyMEILXTDTDPNVIH-CRDKNBMZSA-N
XLogP2.30
TPSA126.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 144540601
1-[2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone
CID 126605934
N-(2-aminoethyl)-2-[4-chloro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605993
N-[1-(aminomethyl)cyclopropyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;ethane
CID 144540346
2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[1-(1,2-oxazol-5-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605563
2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126606184
2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123693201
N-[(1R)-1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605596
N-(5-amino-2-methylpentan-2-yl)-2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;3,3,3-trifluoroprop-1-ene
CID 144540345
tert-butyl N-[3-[[2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-3-methylcyclobutyl]carbamate
CID 126606224
2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126606094
2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605789

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol?
The IUPAC name of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol (CID 144540634) is 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol.
What is the SMILES notation for 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol?
The canonical SMILES for 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol is CO.[H]/N=C(\c1cnc2[nH]cc(C(=O)NCCC)c2n1)c1ccc(F)cc1NC.
What is the InChIKey of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol?
The InChIKey is MEILXTDTDPNVIH-CRDKNBMZSA-N. The full InChI is InChI=1S/C18H19FN6O.CH4O/c1-3-6-22-18(26)12-8-23-17-16(12)25-14(9-24-17)15(20)11-5-4-10(19)7-13(11)21-2;1-2/h4-5,7-9,20-21H,3,6H2,1-2H3,(H,22,26)(H,23,24);2H,1H3/b20-15-;.
What are the key properties of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol?
2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol has a molecular weight of 386.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;methanol is sourced from PubChem (CID 144540634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).