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

C20H20N4O — CID 138536031

IUPAC1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
SMILESCC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2cnccn12
InChIInChI=1S/C20H20N4O/c1-20(2,3)23-19-18(22-16-12-21-10-11-24(16)19)17-14-7-5-4-6-13(14)8-9-15(17)25/h4-12,23,25H,1-3H3
InChIKeyVBGOBXAETFDQHW-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.47
Rot. Bonds2

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

1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol (PubChem CID 138536031) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
PubChem CID138536031
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol
SMILESCC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2cnccn12
InChIInChI=1S/C20H20N4O/c1-20(2,3)23-19-18(22-16-12-21-10-11-24(16)19)17-14-7-5-4-6-13(14)8-9-15(17)25/h4-12,23,25H,1-3H3
InChIKeyVBGOBXAETFDQHW-UHFFFAOYSA-N
XLogP4.47
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol (CID 138536031) is 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol is CC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2cnccn12.
What is the InChIKey of 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
The InChIKey is VBGOBXAETFDQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-20(2,3)23-19-18(22-16-12-21-10-11-24(16)19)17-14-7-5-4-6-13(14)8-9-15(17)25/h4-12,23,25H,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol?
1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol has a molecular weight of 332.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 138536031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).