N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine

C16H16BrFN4O — CID 141242430

IUPACN-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine
SMILESFc1cc(Br)ccc1NC1=CN=CC2=CN(OCC3CC3)CN21
InChIInChI=1S/C16H16BrFN4O/c17-12-3-4-15(14(18)5-12)20-16-7-19-6-13-8-21(10-22(13)16)23-9-11-1-2-11/h3-8,11,20H,1-2,9-10H2
InChIKeyYNHREOLZQZIRTJ-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.64
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine

N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine (PubChem CID 141242430) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine
PubChem CID141242430
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine
SMILESFc1cc(Br)ccc1NC1=CN=CC2=CN(OCC3CC3)CN21
InChIInChI=1S/C16H16BrFN4O/c17-12-3-4-15(14(18)5-12)20-16-7-19-6-13-8-21(10-22(13)16)23-9-11-1-2-11/h3-8,11,20H,1-2,9-10H2
InChIKeyYNHREOLZQZIRTJ-UHFFFAOYSA-N
XLogP3.64
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine (CID 141242430) is N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine is Fc1cc(Br)ccc1NC1=CN=CC2=CN(OCC3CC3)CN21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine?
The InChIKey is YNHREOLZQZIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c17-12-3-4-15(14(18)5-12)20-16-7-19-6-13-8-21(10-22(13)16)23-9-11-1-2-11/h3-8,11,20H,1-2,9-10H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine?
N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine has a molecular weight of 379.23 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(cyclopropylmethoxy)-3H-imidazo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 141242430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).