6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine

C28H34N4O3S — CID 170616344

IUPAC6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine
SMILESCCc1ccc(-c2cnc3cc(OC)c(SC(C)(C)C)cn23)nc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C28H34N4O3S/c1-8-18-10-12-21(31-27(18)30-15-19-9-11-20(33-5)13-23(19)34-6)22-16-29-26-14-24(35-7)25(17-32(22)26)36-28(2,3)4/h9-14,16-17H,8,15H2,1-7H3,(H,30,31)
InChIKeyMHXSMKJWUNXWPC-UHFFFAOYSA-N
MW506.67 g/mol
LogP6.49
Rot. Bonds9

About 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine

6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine (PubChem CID 170616344) has the molecular formula C28H34N4O3S and a molecular weight of 506.67 g/mol. Its IUPAC name is 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine
PubChem CID170616344
Molecular FormulaC28H34N4O3S
Molecular Weight506.67 g/mol
Exact Mass506.24
IUPAC Name6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine
SMILESCCc1ccc(-c2cnc3cc(OC)c(SC(C)(C)C)cn23)nc1NCc1ccc(OC)cc1OC
InChIInChI=1S/C28H34N4O3S/c1-8-18-10-12-21(31-27(18)30-15-19-9-11-20(33-5)13-23(19)34-6)22-16-29-26-14-24(35-7)25(17-32(22)26)36-28(2,3)4/h9-14,16-17H,8,15H2,1-7H3,(H,30,31)
InChIKeyMHXSMKJWUNXWPC-UHFFFAOYSA-N
XLogP6.49
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4,5-diiodopyridin-2-amine
CID 167328439
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
6-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 118510223
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
2-[3-[(2,4-dimethoxyphenyl)methylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 170790056
6-tert-butylsulfonyl-N-[(2,4-dimethoxyphenyl)methyl]pyridin-3-amine
CID 133359877
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949

Frequently Asked Questions

What is the IUPAC name of 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine?
The IUPAC name of 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine (CID 170616344) is 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine.
What is the SMILES notation for 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine?
The canonical SMILES for 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine is CCc1ccc(-c2cnc3cc(OC)c(SC(C)(C)C)cn23)nc1NCc1ccc(OC)cc1OC.
What is the InChIKey of 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine?
The InChIKey is MHXSMKJWUNXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3S/c1-8-18-10-12-21(31-27(18)30-15-19-9-11-20(33-5)13-23(19)34-6)22-16-29-26-14-24(35-7)25(17-32(22)26)36-28(2,3)4/h9-14,16-17H,8,15H2,1-7H3,(H,30,31).
What are the key properties of 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine?
6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine has a molecular weight of 506.67 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyridin-2-amine is sourced from PubChem (CID 170616344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).