1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

C60H74N10O2S2 — CID 158503728

IUPAC1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
SMILESCC(C)(C)c1cc(-c2ncc(C3CCN(C(=O)Cn4cnc5cccnc54)CC3)s2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ncc(C3CCN(C(=O)Cn4cnc5ncccc54)CC3)s2)cc(C(C)(C)C)c1
InChIInChI=1S/2C30H37N5OS/c1-29(2,3)22-14-21(15-23(16-22)30(4,5)6)28-32-17-25(37-28)20-9-12-34(13-10-20)26(36)18-35-19-33-27-24(35)8-7-11-31-27;1-29(2,3)22-14-21(15-23(16-22)30(4,5)6)28-32-17-25(37-28)20-9-12-34(13-10-20)26(36)18-35-19-33-24-8-7-11-31-27(24)35/h2*7-8,11,14-17,19-20H,9-10,12-13,18H2,1-6H3
InChIKeyHKFHOBIAKVQGNO-UHFFFAOYSA-N
MW1031.45 g/mol
LogP13.11
Rot. Bonds8

About 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (PubChem CID 158503728) has the molecular formula C60H74N10O2S2 and a molecular weight of 1031.45 g/mol. Its IUPAC name is 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
PubChem CID158503728
Molecular FormulaC60H74N10O2S2
Molecular Weight1031.45 g/mol
Exact Mass1030.54
IUPAC Name1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
SMILESCC(C)(C)c1cc(-c2ncc(C3CCN(C(=O)Cn4cnc5cccnc54)CC3)s2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ncc(C3CCN(C(=O)Cn4cnc5ncccc54)CC3)s2)cc(C(C)(C)C)c1
InChIInChI=1S/2C30H37N5OS/c1-29(2,3)22-14-21(15-23(16-22)30(4,5)6)28-32-17-25(37-28)20-9-12-34(13-10-20)26(36)18-35-19-33-27-24(35)8-7-11-31-27;1-29(2,3)22-14-21(15-23(16-22)30(4,5)6)28-32-17-25(37-28)20-9-12-34(13-10-20)26(36)18-35-19-33-24-8-7-11-31-27(24)35/h2*7-8,11,14-17,19-20H,9-10,12-13,18H2,1-6H3
InChIKeyHKFHOBIAKVQGNO-UHFFFAOYSA-N
XLogP13.11
TPSA127.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.45
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone with MolForge

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Related Compounds

US9670204, 115 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)-1-(pyrrolidin-1-yl)ethanone
CID 90421207
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89725837
US9670204, 126 1-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)-2-(pyrrolidin-1-yl)ethanone
CID 90420540
US9670204, 31 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone
CID 90420795
2-Imidazo[4,5-b]pyridin-3-yl-1-{(R)-2-methyl-4-[2-(5-phenyl-thiazol-2-yl)-1,2,3,4-tetrahydro-isoquinolin-8-yl]-piperazin-1-yl}-ethanone
CID 118396302
3-{2-[4-(4-{3-tert-butyl-5-[(trifluoromethyl)thio]phenyl}-5-chloro-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl}-3H-imidazo[4,5-b]pyridine
CID 16118978
3-{2-[4-(5-bromo-4-{3-tert-butyl-5-[(trifluoromethyl)thio]phenyl}-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl}-3H-imidazo[4,5-b]pyridine
CID 16746833
1-[4-[4-[3,5-Bis(trifluoromethyl)phenyl]-5-fluoro-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 16746942
1-[4-[4-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 16747567
1-[4-[2-[3-Tert-butyl-5-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 23648688
1-[4-[2-[3-Tert-butyl-5-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
CID 23648828
1-[4-[2-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 23648947

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The IUPAC name of 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (CID 158503728) is 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The canonical SMILES for 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is CC(C)(C)c1cc(-c2ncc(C3CCN(C(=O)Cn4cnc5cccnc54)CC3)s2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ncc(C3CCN(C(=O)Cn4cnc5ncccc54)CC3)s2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The InChIKey is HKFHOBIAKVQGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H37N5OS/c1-29(2,3)22-14-21(15-23(16-22)30(4,5)6)28-32-17-25(37-28)20-9-12-34(13-10-20)26(36)18-35-19-33-27-24(35)8-7-11-31-27;1-29(2,3)22-14-21(15-23(16-22)30(4,5)6)28-32-17-25(37-28)20-9-12-34(13-10-20)26(36)18-35-19-33-24-8-7-11-31-27(24)35/h2*7-8,11,14-17,19-20H,9-10,12-13,18H2,1-6H3.
What are the key properties of 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone has a molecular weight of 1031.45 g/mol, XLogP of 13.11, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-1-ylethanone;1-[4-[2-(3,5-ditert-butylphenyl)-1,3-thiazol-5-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is sourced from PubChem (CID 158503728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).