6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine

C31H37N5O — CID 155633466

IUPAC6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
SMILESCc1nc2c(Oc3cccc(N4C=CN(C)C4)c3)cc(C(C)(C)c3cc(C(C)(C)C)ccn3)cn2c1C
InChIInChI=1S/C31H37N5O/c1-21-22(2)36-19-24(31(6,7)28-17-23(12-13-32-28)30(3,4)5)16-27(29(36)33-21)37-26-11-9-10-25(18-26)35-15-14-34(8)20-35/h9-19H,20H2,1-8H3
InChIKeyCKUOFLVRUHDQPD-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.94
Rot. Bonds5

About 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine

6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine (PubChem CID 155633466) has the molecular formula C31H37N5O and a molecular weight of 495.67 g/mol. Its IUPAC name is 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
PubChem CID155633466
Molecular FormulaC31H37N5O
Molecular Weight495.67 g/mol
Exact Mass495.30
IUPAC Name6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
SMILESCc1nc2c(Oc3cccc(N4C=CN(C)C4)c3)cc(C(C)(C)c3cc(C(C)(C)C)ccn3)cn2c1C
InChIInChI=1S/C31H37N5O/c1-21-22(2)36-19-24(31(6,7)28-17-23(12-13-32-28)30(3,4)5)16-27(29(36)33-21)37-26-11-9-10-25(18-26)35-15-14-34(8)20-35/h9-19H,20H2,1-8H3
InChIKeyCKUOFLVRUHDQPD-UHFFFAOYSA-N
XLogP6.94
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-6-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
CID 155633326
6-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-dimethyl-8-[9-[3-(3-methyl-2H-imidazol-1-yl)phenyl]fluoren-9-yl]imidazo[1,2-a]pyridine
CID 155633412
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
CID 155635818
4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
CID 140765089
9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
CID 155636278
4-tert-butyl-2-[7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-[1]benzothiolo[6,5-f][1]benzothiol-9-yl]pyridine
CID 177293072
3-[3-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]imidazol-4-yl]pyridine
CID 140730853
8-[(4-tert-butyl-2-pyridinyl)oxy]-2,3-di(propan-2-yl)-6-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine
CID 155633527
3-methyl-1-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-tetrazole
CID 162299889
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)-3-phenylpyridine
CID 168758447
2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-oxazole
CID 140729683

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine (CID 155633466) is 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine is Cc1nc2c(Oc3cccc(N4C=CN(C)C4)c3)cc(C(C)(C)c3cc(C(C)(C)C)ccn3)cn2c1C.
What is the InChIKey of 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
The InChIKey is CKUOFLVRUHDQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O/c1-21-22(2)36-19-24(31(6,7)28-17-23(12-13-32-28)30(3,4)5)16-27(29(36)33-21)37-26-11-9-10-25(18-26)35-15-14-34(8)20-35/h9-19H,20H2,1-8H3.
What are the key properties of 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine?
6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine has a molecular weight of 495.67 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-2,3-dimethyl-8-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155633466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).