N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine

C41H49N9O4 — CID 177195411

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3cnn(C)c3)c3cc(N4CCC(N(C)C)CC4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
InChIInChI=1S/C41H49N9O4/c1-26-10-13-34-33(24-45-50(34)37-9-7-8-18-53-37)39(26)54-41-38-31(20-36(46-41)49-16-14-29(15-17-49)47(2)3)32(28-22-44-48(4)25-28)23-43-40(38)42-21-27-11-12-30(51-5)19-35(27)52-6/h10-13,19-20,22-25,29,37H,7-9,14-18,21H2,1-6H3,(H,42,43)
InChIKeyAAVJMZKMZBFXPD-UHFFFAOYSA-N
MW731.90 g/mol
LogP7.34
Rot. Bonds11

About N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195411) has the molecular formula C41H49N9O4 and a molecular weight of 731.90 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine
PubChem CID177195411
Molecular FormulaC41H49N9O4
Molecular Weight731.90 g/mol
Exact Mass731.39
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3cnn(C)c3)c3cc(N4CCC(N(C)C)CC4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
InChIInChI=1S/C41H49N9O4/c1-26-10-13-34-33(24-45-50(34)37-9-7-8-18-53-37)39(26)54-41-38-31(20-36(46-41)49-16-14-29(15-17-49)47(2)3)32(28-22-44-48(4)25-28)23-43-40(38)42-21-27-11-12-30(51-5)19-35(27)52-6/h10-13,19-20,22-25,29,37H,7-9,14-18,21H2,1-6H3,(H,42,43)
InChIKeyAAVJMZKMZBFXPD-UHFFFAOYSA-N
XLogP7.34
TPSA116.85 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Related Compounds

5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241657
7-Methoxy-4-((6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)quinoline
CID 57690964
US10457677, Example 123
CID 122589388
US11247990, Example 384
CID 138715017
5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
CID 146240627
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-(oxolan-3-yloxy)quinazolin-4-amine
CID 146240741
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine
CID 146241156
5-[(4S)-3,3-difluoropiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146250699
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146250829
US11723908, Example 51
CID 146448687
US11723908, Example 52
CID 146510036
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-ethylquinolin-2-amine
CID 156303946

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine (CID 177195411) is N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine is COc1ccc(CNc2ncc(-c3cnn(C)c3)c3cc(N4CCC(N(C)C)CC4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine?
The InChIKey is AAVJMZKMZBFXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N9O4/c1-26-10-13-34-33(24-45-50(34)37-9-7-8-18-53-37)39(26)54-41-38-31(20-36(46-41)49-16-14-29(15-17-49)47(2)3)32(28-22-44-48(4)25-28)23-43-40(38)42-21-27-11-12-30(51-5)19-35(27)52-6/h10-13,19-20,22-25,29,37H,7-9,14-18,21H2,1-6H3,(H,42,43).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine has a molecular weight of 731.90 g/mol, XLogP of 7.34, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(dimethylamino)piperidin-1-yl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(1-methylpyrazol-4-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).