N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine

C22H25N3S — CID 87782509

IUPACN-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine
SMILESC#Cc1ccsc1-c1nc2cc(C)cc(C)n2c1NCC1CCCCC1
InChIInChI=1S/C22H25N3S/c1-4-18-10-11-26-21(18)20-22(23-14-17-8-6-5-7-9-17)25-16(3)12-15(2)13-19(25)24-20/h1,10-13,17,23H,5-9,14H2,2-3H3
InChIKeyXHQJHIPRKBINNF-UHFFFAOYSA-N
MW363.53 g/mol
LogP5.65
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine

N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine (PubChem CID 87782509) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine
PubChem CID87782509
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC NameN-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine
SMILESC#Cc1ccsc1-c1nc2cc(C)cc(C)n2c1NCC1CCCCC1
InChIInChI=1S/C22H25N3S/c1-4-18-10-11-26-21(18)20-22(23-14-17-8-6-5-7-9-17)25-16(3)12-15(2)13-19(25)24-20/h1,10-13,17,23H,5-9,14H2,2-3H3
InChIKeyXHQJHIPRKBINNF-UHFFFAOYSA-N
XLogP5.65
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

Ikk-IN-3
CID 10215156
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
6-Thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3818611
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
N-cyclohexyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808862
tert-Butyl-(2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 860274
N-benzyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808733
N-benzyl-6-chloro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808754
N-(3-methylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 861018
8-methyl-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3473379

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine (CID 87782509) is N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine is C#Cc1ccsc1-c1nc2cc(C)cc(C)n2c1NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is XHQJHIPRKBINNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-4-18-10-11-26-21(18)20-22(23-14-17-8-6-5-7-9-17)25-16(3)12-15(2)13-19(25)24-20/h1,10-13,17,23H,5-9,14H2,2-3H3.
What are the key properties of N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine?
N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 363.53 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-ethynylthiophen-2-yl)-5,7-dimethylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 87782509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).