3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline

C37H46N6O — CID 156575690

IUPAC3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline
SMILESC=C(Nc1cccc(-c2cccc(-c3cc(OC)c(CNC4CCCCC4)cn3)c2C)c1C)c1nc2c(n1C)CCN(C)C2
InChIInChI=1S/C37H46N6O/c1-24-29(14-10-16-31(24)33-20-36(44-6)27(22-39-33)21-38-28-12-8-7-9-13-28)30-15-11-17-32(25(30)2)40-26(3)37-41-34-23-42(4)19-18-35(34)43(37)5/h10-11,14-17,20,22,28,38,40H,3,7-9,12-13,18-19,21,23H2,1-2,4-6H3
InChIKeySSZBUKZEYSEWFM-UHFFFAOYSA-N
MW590.82 g/mol
LogP7.27
Rot. Bonds9

About 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline

3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline (PubChem CID 156575690) has the molecular formula C37H46N6O and a molecular weight of 590.82 g/mol. Its IUPAC name is 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline.

Molecular Properties

Compound Name3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline
PubChem CID156575690
Molecular FormulaC37H46N6O
Molecular Weight590.82 g/mol
Exact Mass590.37
IUPAC Name3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline
SMILESC=C(Nc1cccc(-c2cccc(-c3cc(OC)c(CNC4CCCCC4)cn3)c2C)c1C)c1nc2c(n1C)CCN(C)C2
InChIInChI=1S/C37H46N6O/c1-24-29(14-10-16-31(24)33-20-36(44-6)27(22-39-33)21-38-28-12-8-7-9-13-28)30-15-11-17-32(25(30)2)40-26(3)37-41-34-23-42(4)19-18-35(34)43(37)5/h10-11,14-17,20,22,28,38,40H,3,7-9,12-13,18-19,21,23H2,1-2,4-6H3
InChIKeySSZBUKZEYSEWFM-UHFFFAOYSA-N
XLogP7.27
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.82
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline?
The IUPAC name of 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline (CID 156575690) is 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline.
What is the SMILES notation for 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline?
The canonical SMILES for 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline is C=C(Nc1cccc(-c2cccc(-c3cc(OC)c(CNC4CCCCC4)cn3)c2C)c1C)c1nc2c(n1C)CCN(C)C2.
What is the InChIKey of 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline?
The InChIKey is SSZBUKZEYSEWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N6O/c1-24-29(14-10-16-31(24)33-20-36(44-6)27(22-39-33)21-38-28-12-8-7-9-13-28)30-15-11-17-32(25(30)2)40-26(3)37-41-34-23-42(4)19-18-35(34)43(37)5/h10-11,14-17,20,22,28,38,40H,3,7-9,12-13,18-19,21,23H2,1-2,4-6H3.
What are the key properties of 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline?
3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline has a molecular weight of 590.82 g/mol, XLogP of 7.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[(cyclohexylamino)methyl]-4-methoxy-2-pyridinyl]-2-methylphenyl]-N-[1-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2-methylaniline is sourced from PubChem (CID 156575690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).