1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol

C22H22N4O — CID 138535753

IUPAC1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1nc2cnccn2c1NC1CCCCC1
InChIInChI=1S/C22H22N4O/c27-18-11-10-15-6-4-5-9-17(15)20(18)21-22(24-16-7-2-1-3-8-16)26-13-12-23-14-19(26)25-21/h4-6,9-14,16,24,27H,1-3,7-8H2
InChIKeyIVMMCYYBCLVGNN-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.00
Rot. Bonds3

About 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol

1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol (PubChem CID 138535753) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
PubChem CID138535753
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1nc2cnccn2c1NC1CCCCC1
InChIInChI=1S/C22H22N4O/c27-18-11-10-15-6-4-5-9-17(15)20(18)21-22(24-16-7-2-1-3-8-16)26-13-12-23-14-19(26)25-21/h4-6,9-14,16,24,27H,1-3,7-8H2
InChIKeyIVMMCYYBCLVGNN-UHFFFAOYSA-N
XLogP5.00
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol (CID 138535753) is 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1nc2cnccn2c1NC1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The InChIKey is IVMMCYYBCLVGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-18-11-10-15-6-4-5-9-17(15)20(18)21-22(24-16-7-2-1-3-8-16)26-13-12-23-14-19(26)25-21/h4-6,9-14,16,24,27H,1-3,7-8H2.
What are the key properties of 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol has a molecular weight of 358.44 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 138535753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).