N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

C27H27N3S — CID 11661831

IUPACN-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NCC3CCCCC3)n12
InChIInChI=1S/C27H27N3S/c1-20-9-8-14-25-29-26(27(30(20)25)28-19-22-12-6-3-7-13-22)24-18-17-23(31-24)16-15-21-10-4-2-5-11-21/h2,4-5,8-11,14,17-18,22,28H,3,6-7,12-13,19H2,1H3
InChIKeyAOWYHDKHUTWWBH-UHFFFAOYSA-N
MW425.60 g/mol
LogP6.76
Rot. Bonds4

About N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine

N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 11661831) has the molecular formula C27H27N3S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID11661831
Molecular FormulaC27H27N3S
Molecular Weight425.60 g/mol
Exact Mass425.19
IUPAC NameN-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NCC3CCCCC3)n12
InChIInChI=1S/C27H27N3S/c1-20-9-8-14-25-29-26(27(30(20)25)28-19-22-12-6-3-7-13-22)24-18-17-23(31-24)16-15-21-10-4-2-5-11-21/h2,4-5,8-11,14,17-18,22,28H,3,6-7,12-13,19H2,1H3
InChIKeyAOWYHDKHUTWWBH-UHFFFAOYSA-N
XLogP6.76
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-5,7-dimethyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 11626330
N-[(4-methoxyphenyl)methyl]-6-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 69318527
N-[(2-chlorophenyl)methyl]-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 11604589
N-phenyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
CID 69318687
5-methyl-N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 20857276
N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine
CID 87782509
8-methyl-N-(1-phenylethyl)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 69317341
N-cyclohexyl-2-(2-fluoro-6-methoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59578939
3-(cyclohexylmethyl)-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527419
N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 11603916
N-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59579175
2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
CID 115266821

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 11661831) is N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NCC3CCCCC3)n12.
What is the InChIKey of N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is AOWYHDKHUTWWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3S/c1-20-9-8-14-25-29-26(27(30(20)25)28-19-22-12-6-3-7-13-22)24-18-17-23(31-24)16-15-21-10-4-2-5-11-21/h2,4-5,8-11,14,17-18,22,28H,3,6-7,12-13,19H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine?
N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 425.60 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-methyl-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 11661831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).