2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

About 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 123693201) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name	2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID	123693201
Molecular Formula	C23H26FN7O
Molecular Weight	435.51 g/mol
Exact Mass	435.22
IUPAC Name	2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILES	[H]/N=C(\c1cnc2[nH]cc(C(=O)NC3CCC(CCN=C)C3)c2n1)c1ccc(F)cc1NC
InChI	InChI=1S/C23H26FN7O/c1-26-8-7-13-3-5-15(9-13)30-23(32)17-11-28-22-21(17)31-19(12-29-22)20(25)16-6-4-14(24)10-18(16)27-2/h4,6,10-13,15,25,27H,1,3,5,7-9H2,2H3,(H,28,29)(H,30,32)/b25-20-
InChIKey	HILJYBJATBUJKD-QQTULTPQSA-N
XLogP	3.54
TPSA	118.91 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 123693201) is 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is [H]/N=C(\c1cnc2[nH]cc(C(=O)NC3CCC(CCN=C)C3)c2n1)c1ccc(F)cc1NC.

What is the InChIKey of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is HILJYBJATBUJKD-QQTULTPQSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-26-8-7-13-3-5-15(9-13)30-23(32)17-11-28-22-21(17)31-19(12-29-22)20(25)16-6-4-14(24)10-18(16)27-2/h4,6,10-13,15,25,27H,1,3,5,7-9H2,2H3,(H,28,29)(H,30,32)/b25-20-.

What are the key properties of 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[3-[2-(methylideneamino)ethyl]cyclopentyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 123693201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).