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

C31H40N6O — CID 143198349

IUPAC(1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline
SMILESCOc1ccc([C@H](C)NCc2cn3c(N4CCN(C)CC4)cccc3n2)cc1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C22H29N5O.C9H11N/c1-17(18-7-9-20(28-3)10-8-18)23-15-19-16-27-21(24-19)5-4-6-22(27)26-13-11-25(2)12-14-26;1-2-6-9-8(4-1)5-3-7-10-9/h4-10,16-17,23H,11-15H2,1-3H3;3,5,7H,1-2,4,6H2/t17-;/m0./s1
InChIKeySUFMMJKVLJCRCM-LMOVPXPDSA-N
MW512.70 g/mol
LogP4.91
Rot. Bonds6

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

(1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline (PubChem CID 143198349) has the molecular formula C31H40N6O and a molecular weight of 512.70 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline
PubChem CID143198349
Molecular FormulaC31H40N6O
Molecular Weight512.70 g/mol
Exact Mass512.33
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline
SMILESCOc1ccc([C@H](C)NCc2cn3c(N4CCN(C)CC4)cccc3n2)cc1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C22H29N5O.C9H11N/c1-17(18-7-9-20(28-3)10-8-18)23-15-19-16-27-21(24-19)5-4-6-22(27)26-13-11-25(2)12-14-26;1-2-6-9-8(4-1)5-3-7-10-9/h4-10,16-17,23H,11-15H2,1-3H3;3,5,7H,1-2,4,6H2/t17-;/m0./s1
InChIKeySUFMMJKVLJCRCM-LMOVPXPDSA-N
XLogP4.91
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.70
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[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-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline (CID 143198349) is (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[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-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline is COc1ccc([C@H](C)NCc2cn3c(N4CCN(C)CC4)cccc3n2)cc1.c1cnc2c(c1)CCCC2.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
The InChIKey is SUFMMJKVLJCRCM-LMOVPXPDSA-N. The full InChI is InChI=1S/C22H29N5O.C9H11N/c1-17(18-7-9-20(28-3)10-8-18)23-15-19-16-27-21(24-19)5-4-6-22(27)26-13-11-25(2)12-14-26;1-2-6-9-8(4-1)5-3-7-10-9/h4-10,16-17,23H,11-15H2,1-3H3;3,5,7H,1-2,4,6H2/t17-;/m0./s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline?
(1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline has a molecular weight of 512.70 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]ethanamine;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 143198349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).