N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide

C23H20FN5O — CID 67975883

IUPACN-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cn3ccnc3c(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H20FN5O/c24-18-7-1-15(2-8-18)13-26-21-22-25-11-12-29(22)14-20(28-21)16-3-5-17(6-4-16)23(30)27-19-9-10-19/h1-8,11-12,14,19H,9-10,13H2,(H,26,28)(H,27,30)
InChIKeyBSSSGTQSBFCJSH-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.04
Rot. Bonds6

About N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide

N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 67975883) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID67975883
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cn3ccnc3c(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H20FN5O/c24-18-7-1-15(2-8-18)13-26-21-22-25-11-12-29(22)14-20(28-21)16-3-5-17(6-4-16)23(30)27-19-9-10-19/h1-8,11-12,14,19H,9-10,13H2,(H,26,28)(H,27,30)
InChIKeyBSSSGTQSBFCJSH-UHFFFAOYSA-N
XLogP4.04
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 67975883) is N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cn3ccnc3c(NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is BSSSGTQSBFCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-18-7-1-15(2-8-18)13-26-21-22-25-11-12-29(22)14-20(28-21)16-3-5-17(6-4-16)23(30)27-19-9-10-19/h1-8,11-12,14,19H,9-10,13H2,(H,26,28)(H,27,30).
What are the key properties of N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 401.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 67975883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).