5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine

C39H43N5O — CID 155633396

IUPAC5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine
SMILESCc1nn(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)n4c(C(C)C)c(C(C)C)nc4c3)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C39H43N5O/c1-24(2)37-38(25(3)4)43-34(33-20-29(18-19-40-33)39(7,8)9)22-32(23-35(43)41-37)45-31-17-13-16-30(21-31)44-27(6)36(26(5)42-44)28-14-11-10-12-15-28/h10-25H,1-9H3
InChIKeyQQIGZKIXXPDNFM-UHFFFAOYSA-N
MW597.81 g/mol
LogP10.20
Rot. Bonds7

About 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine

5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 155633396) has the molecular formula C39H43N5O and a molecular weight of 597.81 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine
PubChem CID155633396
Molecular FormulaC39H43N5O
Molecular Weight597.81 g/mol
Exact Mass597.35
IUPAC Name5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine
SMILESCc1nn(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)n4c(C(C)C)c(C(C)C)nc4c3)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C39H43N5O/c1-24(2)37-38(25(3)4)43-34(33-20-29(18-19-40-33)39(7,8)9)22-32(23-35(43)41-37)45-31-17-13-16-30(21-31)44-27(6)36(26(5)42-44)28-14-11-10-12-15-28/h10-25H,1-9H3
InChIKeyQQIGZKIXXPDNFM-UHFFFAOYSA-N
XLogP10.20
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.81
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]-4-phenylpyrazole
CID 140729613
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole
CID 153415156
2-[3-tert-butyl-5-(3-methyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 153441828
6-(3,3-dimethylbutan-2-yl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)carbazole
CID 153440829
6-tert-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-(2-methylpropyl)phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153442154
2-[3-tert-butyl-5-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153415504
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-ethylcarbazole
CID 153441318
8-[2-(4-tert-butyl-2-pyridinyl)propan-2-yl]-6-[9-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenyl]fluoren-9-yl]-2,3-dimethylimidazo[1,2-a]pyridine
CID 155633432
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-propylcarbazole
CID 153440825
2-[3-tert-butyl-5-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methyl-2-pyridinyl)-6-phenylcarbazole
CID 153442418
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-fluoro-2-pyridinyl)-6-phenylcarbazole
CID 153442105
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methoxy-2-pyridinyl)-6-(6-methylheptan-2-yl)carbazole
CID 153440801

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine (CID 155633396) is 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine is Cc1nn(-c2cccc(Oc3cc(-c4cc(C(C)(C)C)ccn4)n4c(C(C)C)c(C(C)C)nc4c3)c2)c(C)c1-c1ccccc1.
What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is QQIGZKIXXPDNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N5O/c1-24(2)37-38(25(3)4)43-34(33-20-29(18-19-40-33)39(7,8)9)22-32(23-35(43)41-37)45-31-17-13-16-30(21-31)44-27(6)36(26(5)42-44)28-14-11-10-12-15-28/h10-25H,1-9H3.
What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine?
5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 597.81 g/mol, XLogP of 10.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-pyridinyl)-7-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-2,3-di(propan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155633396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).