1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol

C25H17N3O — CID 167560268

IUPAC1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
SMILESC#Cc1ccc(Nc2c(-c3c(O)ccc4ccccc34)nc3ccccn23)cc1
InChIInChI=1S/C25H17N3O/c1-2-17-10-13-19(14-11-17)26-25-24(27-22-9-5-6-16-28(22)25)23-20-8-4-3-7-18(20)12-15-21(23)29/h1,3-16,26,29H
InChIKeyHRZXOCVCOSMSOC-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.59
Rot. Bonds3

About 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol

1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (PubChem CID 167560268) has the molecular formula C25H17N3O and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
PubChem CID167560268
Molecular FormulaC25H17N3O
Molecular Weight375.43 g/mol
Exact Mass375.14
IUPAC Name1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
SMILESC#Cc1ccc(Nc2c(-c3c(O)ccc4ccccc34)nc3ccccn23)cc1
InChIInChI=1S/C25H17N3O/c1-2-17-10-13-19(14-11-17)26-25-24(27-22-9-5-6-16-28(22)25)23-20-8-4-3-7-18(20)12-15-21(23)29/h1,3-16,26,29H
InChIKeyHRZXOCVCOSMSOC-UHFFFAOYSA-N
XLogP5.59
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol
CID 167560267
methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 138535934
N-benzyl-2-[2-(4-tert-butylphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;2-[2-(4-tert-butylphenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;2-[2-(4-tert-butylphenyl)ethyl]-N-(4-ethynylphenyl)imidazo[1,2-a]pyridin-3-amine;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-amine;methyl 3-[[2-(2-hydroxynaphthalen-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 167644533
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445
2-(furan-2-yl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 6621186
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3593036
4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile
CID 154620327
2-(6-chloro-2-fluoro-3-methylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 67231915
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 174193271
2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 71461760
methyl 4-[[6-ethynyl-2-(4-ethynylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 164601178

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol (CID 167560268) is 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol is C#Cc1ccc(Nc2c(-c3c(O)ccc4ccccc34)nc3ccccn23)cc1.
What is the InChIKey of 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
The InChIKey is HRZXOCVCOSMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O/c1-2-17-10-13-19(14-11-17)26-25-24(27-22-9-5-6-16-28(22)25)23-20-8-4-3-7-18(20)12-15-21(23)29/h1,3-16,26,29H.
What are the key properties of 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol?
1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol has a molecular weight of 375.43 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol is sourced from PubChem (CID 167560268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).