N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine

C30H31N7S — CID 178168711

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCSc1ccc2ncc(CNCc3cccnc3)n2c1.c1ccc(CNCc2cnc3ccccn23)cc1
InChIInChI=1S/C15H16N4S.C15H15N3/c1-20-14-4-5-15-18-10-13(19(15)11-14)9-17-8-12-3-2-6-16-7-12;1-2-6-13(7-3-1)10-16-11-14-12-17-15-8-4-5-9-18(14)15/h2-7,10-11,17H,8-9H2,1H3;1-9,12,16H,10-11H2
InChIKeyLHUQVRMCPVHCDP-UHFFFAOYSA-N
MW521.69 g/mol
LogP5.37
Rot. Bonds9

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 178168711) has the molecular formula C30H31N7S and a molecular weight of 521.69 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID178168711
Molecular FormulaC30H31N7S
Molecular Weight521.69 g/mol
Exact Mass521.24
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCSc1ccc2ncc(CNCc3cccnc3)n2c1.c1ccc(CNCc2cnc3ccccn23)cc1
InChIInChI=1S/C15H16N4S.C15H15N3/c1-20-14-4-5-15-18-10-13(19(15)11-14)9-17-8-12-3-2-6-16-7-12;1-2-6-13(7-3-1)10-16-11-14-12-17-15-8-4-5-9-18(14)15/h2-7,10-11,17H,8-9H2,1H3;1-9,12,16H,10-11H2
InChIKeyLHUQVRMCPVHCDP-UHFFFAOYSA-N
XLogP5.37
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.69
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine with MolForge

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Related Compounds

N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 79036219
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
CID 87021417
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 115587150
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine (CID 178168711) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine is CSc1ccc2ncc(CNCc3cccnc3)n2c1.c1ccc(CNCc2cnc3ccccn23)cc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is LHUQVRMCPVHCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S.C15H15N3/c1-20-14-4-5-15-18-10-13(19(15)11-14)9-17-8-12-3-2-6-16-7-12;1-2-6-13(7-3-1)10-16-11-14-12-17-15-8-4-5-9-18(14)15/h2-7,10-11,17H,8-9H2,1H3;1-9,12,16H,10-11H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 521.69 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 178168711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).