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

C21H21N3O — CID 138535758

IUPAC1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
SMILESCC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12
InChIInChI=1S/C21H21N3O/c1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25/h4-13,23,25H,1-3H3
InChIKeyQABLDFZIZKEHJZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.07
Rot. Bonds2

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

1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (PubChem CID 138535758) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
PubChem CID138535758
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
SMILESCC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12
InChIInChI=1S/C21H21N3O/c1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25/h4-13,23,25H,1-3H3
InChIKeyQABLDFZIZKEHJZ-UHFFFAOYSA-N
XLogP5.07
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (CID 138535758) is 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol is CC(C)(C)Nc1c(-c2c(O)ccc3ccccc23)nc2ccccn12.
What is the InChIKey of 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The InChIKey is QABLDFZIZKEHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-21(2,3)23-20-19(22-17-10-6-7-13-24(17)20)18-15-9-5-4-8-14(15)11-12-16(18)25/h4-13,23,25H,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol has a molecular weight of 331.42 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 138535758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).