(1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline

C30H38N6O — CID 143196413

IUPAC(1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline
SMILESCOc1ccc([C@H](C)NCc2cn3c(N4CCNCC4)cccc3n2)cc1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C21H27N5O.C9H11N/c1-16(17-6-8-19(27-2)9-7-17)23-14-18-15-26-20(24-18)4-3-5-21(26)25-12-10-22-11-13-25;1-2-6-9-8(4-1)5-3-7-10-9/h3-9,15-16,22-23H,10-14H2,1-2H3;3,5,7H,1-2,4,6H2/t16-;/m0./s1
InChIKeyPOFJJKNINSSYFD-NTISSMGPSA-N
MW498.68 g/mol
LogP4.56
Rot. Bonds6

About (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline

(1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline (PubChem CID 143196413) has the molecular formula C30H38N6O and a molecular weight of 498.68 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline
PubChem CID143196413
Molecular FormulaC30H38N6O
Molecular Weight498.68 g/mol
Exact Mass498.31
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline
SMILESCOc1ccc([C@H](C)NCc2cn3c(N4CCNCC4)cccc3n2)cc1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C21H27N5O.C9H11N/c1-16(17-6-8-19(27-2)9-7-17)23-14-18-15-26-20(24-18)4-3-5-21(26)25-12-10-22-11-13-25;1-2-6-9-8(4-1)5-3-7-10-9/h3-9,15-16,22-23H,10-14H2,1-2H3;3,5,7H,1-2,4,6H2/t16-;/m0./s1
InChIKeyPOFJJKNINSSYFD-NTISSMGPSA-N
XLogP4.56
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.68
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2,4-Disubstituted Pyrimidine 2f
CID 5329419
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline (CID 143196413) is (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline is COc1ccc([C@H](C)NCc2cn3c(N4CCNCC4)cccc3n2)cc1.c1cnc2c(c1)CCCC2.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
The InChIKey is POFJJKNINSSYFD-NTISSMGPSA-N. The full InChI is InChI=1S/C21H27N5O.C9H11N/c1-16(17-6-8-19(27-2)9-7-17)23-14-18-15-26-20(24-18)4-3-5-21(26)25-12-10-22-11-13-25;1-2-6-9-8(4-1)5-3-7-10-9/h3-9,15-16,22-23H,10-14H2,1-2H3;3,5,7H,1-2,4,6H2/t16-;/m0./s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
(1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline has a molecular weight of 498.68 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-[(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)methyl]ethanamine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143196413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).