4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol

C17H17BrN4O — CID 3237008

IUPAC4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCC1
InChIInChI=1S/C17H17BrN4O/c18-11-5-6-14(23)13(9-11)16-17(20-12-3-1-2-4-12)22-8-7-19-10-15(22)21-16/h5-10,12,20,23H,1-4H2
InChIKeyYXESZWPCZZYGIK-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.22
Rot. Bonds3

About 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol

4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 3237008) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID3237008
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCC1
InChIInChI=1S/C17H17BrN4O/c18-11-5-6-14(23)13(9-11)16-17(20-12-3-1-2-4-12)22-8-7-19-10-15(22)21-16/h5-10,12,20,23H,1-4H2
InChIKeyYXESZWPCZZYGIK-UHFFFAOYSA-N
XLogP4.22
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 3237008) is 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol is Oc1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCC1.
What is the InChIKey of 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is YXESZWPCZZYGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-11-5-6-14(23)13(9-11)16-17(20-12-3-1-2-4-12)22-8-7-19-10-15(22)21-16/h5-10,12,20,23H,1-4H2.
What are the key properties of 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 373.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(cyclopentylamino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 3237008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).