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

About 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

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 (PubChem CID 144540345) has the molecular formula C24H29F4N7O and a molecular weight of 507.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	144540345
Molecular Formula	C24H29F4N7O
Molecular Weight	507.54 g/mol
Exact Mass	507.24
IUPAC Name	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
SMILES	C=CC(F)(F)F.[H]/N=C(\c1cnc2[nH]cc(C(=O)NC(C)(C)CCCN)c2n1)c1ccc(F)cc1NC
InChI	InChI=1S/C21H26FN7O.C3H3F3/c1-21(2,7-4-8-23)29-20(30)14-10-26-19-18(14)28-16(11-27-19)17(24)13-6-5-12(22)9-15(13)25-3;1-2-3(4,5)6/h5-6,9-11,24-25H,4,7-8,23H2,1-3H3,(H,26,27)(H,29,30);2H,1H2/b24-17-;
InChIKey	CHCPCKVBXLJTGW-IJVOEZGUSA-N
XLogP	4.54
TPSA	132.57 Å²
H-Bond Donors	5
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=CC(F)(F)F.[H]/N=C(\c1cnc2[nH]cc(C(=O)NC(C)(C)CCCN)c2n1)c1ccc(F)cc1NC.

What is the InChIKey of 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?

The InChIKey is CHCPCKVBXLJTGW-IJVOEZGUSA-N. The full InChI is InChI=1S/C21H26FN7O.C3H3F3/c1-21(2,7-4-8-23)29-20(30)14-10-26-19-18(14)28-16(11-27-19)17(24)13-6-5-12(22)9-15(13)25-3;1-2-3(4,5)6/h5-6,9-11,24-25H,4,7-8,23H2,1-3H3,(H,26,27)(H,29,30);2H,1H2/b24-17-;.

What are the key properties of 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?

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 has a molecular weight of 507.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 144540345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).