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

C39H42N8O4S — CID 177195385

IUPACN-[(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
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(C4=CCN(C)CC4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
InChIInChI=1S/C39H42N8O4S/c1-23-9-12-32-30(22-42-47(32)34-8-6-7-17-50-34)36(23)51-38-35-28(19-31(43-38)25-13-15-46(3)16-14-25)29(39-45-44-24(2)52-39)21-41-37(35)40-20-26-10-11-27(48-4)18-33(26)49-5/h9-13,18-19,21-22,34H,6-8,14-17,20H2,1-5H3,(H,40,41)
InChIKeyLCUBBMGPVNASPT-UHFFFAOYSA-N
MW718.88 g/mol
LogP7.95
Rot. Bonds10

About 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

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 (PubChem CID 177195385) has the molecular formula C39H42N8O4S and a molecular weight of 718.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID177195385
Molecular FormulaC39H42N8O4S
Molecular Weight718.88 g/mol
Exact Mass718.30
IUPAC NameN-[(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
SMILESCOc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(C4=CCN(C)CC4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
InChIInChI=1S/C39H42N8O4S/c1-23-9-12-32-30(22-42-47(32)34-8-6-7-17-50-34)36(23)51-38-35-28(19-31(43-38)25-13-15-46(3)16-14-25)29(39-45-44-24(2)52-39)21-41-37(35)40-20-26-10-11-27(48-4)18-33(26)49-5/h9-13,18-19,21-22,34H,6-8,14-17,20H2,1-5H3,(H,40,41)
InChIKeyLCUBBMGPVNASPT-UHFFFAOYSA-N
XLogP7.95
TPSA121.57 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.88
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-9-fluoro-2-[5-fluoro-1-[1-(oxan-4-yl)pyrazol-4-yl]piperidin-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146650478
3-[[8-Amino-3-[1-(difluoromethyl)pyrazol-3-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195399
tert-butyl N-[(3R)-1-[4-[(2,4-dimethoxyphenyl)methylamino]-5-[5-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypyrido[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 177195454
7-chloro-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-fluoro-1-(oxan-2-yl)indazol-4-yl]oxypyrido[4,3-d]pyrimidin-4-amine
CID 177195603
4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-fluoro-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-pyrazin-2-ylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 177195645
7-N-(3,6-difluoro-2-pyridinyl)-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxypyrido[4,3-d]pyrimidine-4,7-diamine
CID 177195661
2-[3-[4-(3,5-Dimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153412890
2-[3-[4-(2,6-Dimethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153412984
2-[3-[4-(2,6-Dimethoxyphenyl)pyrazol-1-yl]-5-fluorophenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413324
2-[3-[4-(2,6-Diethoxy-3,5-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153413495
2-[3-[4-(4-Fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413621
2-[3-[4-(2,6-Diethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-fluoro-2-pyridinyl)carbazole
CID 153413729

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CNc2ncc(-c3nnc(C)s3)c3cc(C4=CCN(C)CC4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is LCUBBMGPVNASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N8O4S/c1-23-9-12-32-30(22-42-47(32)34-8-6-7-17-50-34)36(23)51-38-35-28(19-31(43-38)25-13-15-46(3)16-14-25)29(39-45-44-24(2)52-39)21-41-37(35)40-20-26-10-11-27(48-4)18-33(26)49-5/h9-13,18-19,21-22,34H,6-8,14-17,20H2,1-5H3,(H,40,41).
What are the key properties of 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?
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 has a molecular weight of 718.88 g/mol, XLogP of 7.95, 10 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-(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 is sourced from PubChem (CID 177195385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).