(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde

C62H76N12O3 — CID 160959949

IUPAC(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCN1CCN(c2cccc3nc(C=O)cn23)CC1.COc1ccc([C@H](C)N(Cc2cn3c(N4CCN(C)CC4)cccc3n2)[C@H]2CCCc3cccnc32)cc1.COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1
InChIInChI=1S/C31H38N6O.C18H22N2O.C13H16N4O/c1-23(24-12-14-27(38-3)15-13-24)36(28-9-4-7-25-8-6-16-32-31(25)28)21-26-22-37-29(33-26)10-5-11-30(37)35-19-17-34(2)18-20-35;1-13(14-8-10-16(21-2)11-9-14)20-17-7-3-5-15-6-4-12-19-18(15)17;1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13/h5-6,8,10-16,22-23,28H,4,7,9,17-21H2,1-3H3;4,6,8-13,17,20H,3,5,7H2,1-2H3;2-4,9-10H,5-8H2,1H3/t23-,28-;13-,17-;/m00./s1
InChIKeySWWPCRPJPFGHDW-MTSKPTGISA-N
MW1037.37 g/mol
LogP9.85
Rot. Bonds13

About (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde

(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde (PubChem CID 160959949) has the molecular formula C62H76N12O3 and a molecular weight of 1037.37 g/mol. Its IUPAC name is (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
PubChem CID160959949
Molecular FormulaC62H76N12O3
Molecular Weight1037.37 g/mol
Exact Mass1036.62
IUPAC Name(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde
SMILESCN1CCN(c2cccc3nc(C=O)cn23)CC1.COc1ccc([C@H](C)N(Cc2cn3c(N4CCN(C)CC4)cccc3n2)[C@H]2CCCc3cccnc32)cc1.COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1
InChIInChI=1S/C31H38N6O.C18H22N2O.C13H16N4O/c1-23(24-12-14-27(38-3)15-13-24)36(28-9-4-7-25-8-6-16-32-31(25)28)21-26-22-37-29(33-26)10-5-11-30(37)35-19-17-34(2)18-20-35;1-13(14-8-10-16(21-2)11-9-14)20-17-7-3-5-15-6-4-12-19-18(15)17;1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13/h5-6,8,10-16,22-23,28H,4,7,9,17-21H2,1-3H3;4,6,8-13,17,20H,3,5,7H2,1-2H3;2-4,9-10H,5-8H2,1H3/t23-,28-;13-,17-;/m00./s1
InChIKeySWWPCRPJPFGHDW-MTSKPTGISA-N
XLogP9.85
TPSA124.14 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.37
LogP ≤ 59.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164613436
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164624196
N-[(4-methoxyphenyl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164626993
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 164628072
1-(2-fluoro-4-methoxyphenyl)-2-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190501
8-(4-Methoxyphenyl)-N-[2-(pyridin-2-YL)ethyl]imidazo[1,2-A]pyrazine-2-carboxamide
CID 53188916
(Z)-1-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(quinolin-6-ylamino)prop-2-en-1-one
CID 145981160
(Z)-1-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(quinolin-3-ylamino)prop-2-en-1-one
CID 145987260
8-(4-methoxyphenyl)-N-(3-pyridylmethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 53188904
8-(4-Methoxyphenyl)-N-[2-(pyridin-3-YL)ethyl]imidazo[1,2-A]pyrazine-2-carboxamide
CID 53188918
8-(4-Methoxyphenyl)-N-[(1-methyl-1H-1,3-benzodiazol-2-YL)methyl]imidazo[1,2-A]pyrazine-2-carboxamide
CID 53188952
N-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 53188958

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The IUPAC name of (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde (CID 160959949) is (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde.
What is the SMILES notation for (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The canonical SMILES for (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde is CN1CCN(c2cccc3nc(C=O)cn23)CC1.COc1ccc([C@H](C)N(Cc2cn3c(N4CCN(C)CC4)cccc3n2)[C@H]2CCCc3cccnc32)cc1.COc1ccc([C@H](C)N[C@H]2CCCc3cccnc32)cc1.
What is the InChIKey of (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
The InChIKey is SWWPCRPJPFGHDW-MTSKPTGISA-N. The full InChI is InChI=1S/C31H38N6O.C18H22N2O.C13H16N4O/c1-23(24-12-14-27(38-3)15-13-24)36(28-9-4-7-25-8-6-16-32-31(25)28)21-26-22-37-29(33-26)10-5-11-30(37)35-19-17-34(2)18-20-35;1-13(14-8-10-16(21-2)11-9-14)20-17-7-3-5-15-6-4-12-19-18(15)17;1-15-5-7-16(8-6-15)13-4-2-3-12-14-11(10-18)9-17(12)13/h5-6,8,10-16,22-23,28H,4,7,9,17-21H2,1-3H3;4,6,8-13,17,20H,3,5,7H2,1-2H3;2-4,9-10H,5-8H2,1H3/t23-,28-;13-,17-;/m00./s1.
What are the key properties of (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde?
(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde has a molecular weight of 1037.37 g/mol, XLogP of 9.85, 13 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 160959949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).