N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide

C26H25N5O2 — CID 165414861

IUPACN-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide
SMILESCn1cc(-c2ccccc2)nc1COc1ncc(C2CC2)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H25N5O2/c1-31-16-22(19-10-6-3-7-11-19)29-23(31)17-33-26-24(30-21(15-28-26)20-12-13-20)25(32)27-14-18-8-4-2-5-9-18/h2-11,15-16,20H,12-14,17H2,1H3,(H,27,32)
InChIKeyVPISWCLEFRNVGN-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.26
Rot. Bonds8

About N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide

N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide (PubChem CID 165414861) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide
PubChem CID165414861
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide
SMILESCn1cc(-c2ccccc2)nc1COc1ncc(C2CC2)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C26H25N5O2/c1-31-16-22(19-10-6-3-7-11-19)29-23(31)17-33-26-24(30-21(15-28-26)20-12-13-20)25(32)27-14-18-8-4-2-5-9-18/h2-11,15-16,20H,12-14,17H2,1H3,(H,27,32)
InChIKeyVPISWCLEFRNVGN-UHFFFAOYSA-N
XLogP4.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide (CID 165414861) is N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide is Cn1cc(-c2ccccc2)nc1COc1ncc(C2CC2)nc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide?
The InChIKey is VPISWCLEFRNVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-31-16-22(19-10-6-3-7-11-19)29-23(31)17-33-26-24(30-21(15-28-26)20-12-13-20)25(32)27-14-18-8-4-2-5-9-18/h2-11,15-16,20H,12-14,17H2,1H3,(H,27,32).
What are the key properties of N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide?
N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 165414861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).