N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine

C35H38N6O5S — CID 177195611

IUPACN-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CC5CCC(C4)O5)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C35H38N6O5S/c1-19-7-12-28(43-5)20(2)32(19)46-34-31-26(14-30(38-34)41-17-24-10-11-25(18-41)45-24)27(35-40-39-21(3)47-35)16-37-33(31)36-15-22-8-9-23(42-4)13-29(22)44-6/h7-9,12-14,16,24-25H,10-11,15,17-18H2,1-6H3,(H,36,37)
InChIKeyAMABYRSCZYQUDE-UHFFFAOYSA-N
MW654.79 g/mol
LogP6.87
Rot. Bonds10

About N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine (PubChem CID 177195611) has the molecular formula C35H38N6O5S and a molecular weight of 654.79 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine
PubChem CID177195611
Molecular FormulaC35H38N6O5S
Molecular Weight654.79 g/mol
Exact Mass654.26
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CC5CCC(C4)O5)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1
InChIInChI=1S/C35H38N6O5S/c1-19-7-12-28(43-5)20(2)32(19)46-34-31-26(14-30(38-34)41-17-24-10-11-25(18-41)45-24)27(35-40-39-21(3)47-35)16-37-33(31)36-15-22-8-9-23(42-4)13-29(22)44-6/h7-9,12-14,16,24-25H,10-11,15,17-18H2,1-6H3,(H,36,37)
InChIKeyAMABYRSCZYQUDE-UHFFFAOYSA-N
XLogP6.87
TPSA112.98 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.79
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,7-Diazaspiro[3.5]nonan-7-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195378
N-[(2,4-dimethoxyphenyl)methyl]-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195385
3-[[8-Amino-3-(1,7-diazaspiro[3.5]nonan-7-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195395
6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195396
3-[[8-Amino-3-(1-methylpyrazol-4-yl)-5-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195430
6-chloro-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195434
N-[(2,4-dimethoxyphenyl)methyl]-8-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-6-(1-methylpiperidin-4-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195451
N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195455
N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-6-(1-methylpyrazol-3-yl)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195466
3-[[8-amino-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195470
6-(1,7-diazaspiro[3.5]nonan-7-yl)-N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195472
8-(3-Methoxy-2,6-dimethylphenoxy)-6-[3-(methylamino)pyrazol-1-yl]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195483

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine (CID 177195611) is N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine is COc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(N4CC5CCC(C4)O5)nc(Oc4c(C)ccc(OC)c4C)c23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?
The InChIKey is AMABYRSCZYQUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O5S/c1-19-7-12-28(43-5)20(2)32(19)46-34-31-26(14-30(38-34)41-17-24-10-11-25(18-41)45-24)27(35-40-39-21(3)47-35)16-37-33(31)36-15-22-8-9-23(42-4)13-29(22)44-6/h7-9,12-14,16,24-25H,10-11,15,17-18H2,1-6H3,(H,36,37).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine has a molecular weight of 654.79 g/mol, XLogP of 6.87, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-8-(3-methoxy-2,6-dimethylphenoxy)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).