N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

C25H33N3OS — CID 24891775

IUPACN-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2cc(C)ccn12
InChIInChI=1S/C25H33N3OS/c1-4-5-14-26-25-24(27-23-16-18(2)13-15-28(23)25)19-11-12-21(29-3)22(17-19)30-20-9-7-6-8-10-20/h11-13,15-17,20,26H,4-10,14H2,1-3H3
InChIKeyUSMHUWBUXKQKFV-UHFFFAOYSA-N
MW423.63 g/mol
LogP6.96
Rot. Bonds8

About N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine

N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 24891775) has the molecular formula C25H33N3OS and a molecular weight of 423.63 g/mol. Its IUPAC name is N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID24891775
Molecular FormulaC25H33N3OS
Molecular Weight423.63 g/mol
Exact Mass423.23
IUPAC NameN-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2cc(C)ccn12
InChIInChI=1S/C25H33N3OS/c1-4-5-14-26-25-24(27-23-16-18(2)13-15-28(23)25)19-11-12-21(29-3)22(17-19)30-20-9-7-6-8-10-20/h11-13,15-17,20,26H,4-10,14H2,1-3H3
InChIKeyUSMHUWBUXKQKFV-UHFFFAOYSA-N
XLogP6.96
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(3-hexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24891788
1-[4-[4-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl]phenyl]ethanone;2,2,2-trifluoroacetic acid
CID 53312841
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693785
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 42743325
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982
N-benzyl-2-(4-cyclohexylsulfanyl-3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24891792
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] furan-2-carboxylate
CID 3916477
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octane-1-sulfonate
CID 42743329
N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693972
1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
CID 24892698
(2R)-2-chloro-N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016814

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 24891775) is N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine is CCCCNc1c(-c2ccc(OC)c(SC3CCCCC3)c2)nc2cc(C)ccn12.
What is the InChIKey of N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is USMHUWBUXKQKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3OS/c1-4-5-14-26-25-24(27-23-16-18(2)13-15-28(23)25)19-11-12-21(29-3)22(17-19)30-20-9-7-6-8-10-20/h11-13,15-17,20,26H,4-10,14H2,1-3H3.
What are the key properties of N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine?
N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 423.63 g/mol, XLogP of 6.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-cyclohexylsulfanyl-4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 24891775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).