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

C24H27N7O2S — CID 177195470

IUPAC3-[[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
SMILESCN[C@@H]1CCN(c2cc3c(-c4nnc(C)s4)cnc(N)c3c(Oc3c(C)ccc(O)c3C)n2)C1
InChIInChI=1S/C24H27N7O2S/c1-12-5-6-18(32)13(2)21(12)33-23-20-16(9-19(28-23)31-8-7-15(11-31)26-4)17(10-27-22(20)25)24-30-29-14(3)34-24/h5-6,9-10,15,26,32H,7-8,11H2,1-4H3,(H2,25,27)/t15-/m1/s1
InChIKeyGWEGTGILXKHIKY-OAHLLOKOSA-N
MW477.59 g/mol
LogP3.95
Rot. Bonds5

About 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

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 (PubChem CID 177195470) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID177195470
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name3-[[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
SMILESCN[C@@H]1CCN(c2cc3c(-c4nnc(C)s4)cnc(N)c3c(Oc3c(C)ccc(O)c3C)n2)C1
InChIInChI=1S/C24H27N7O2S/c1-12-5-6-18(32)13(2)21(12)33-23-20-16(9-19(28-23)31-8-7-15(11-31)26-4)17(10-27-22(20)25)24-30-29-14(3)34-24/h5-6,9-10,15,26,32H,7-8,11H2,1-4H3,(H2,25,27)/t15-/m1/s1
InChIKeyGWEGTGILXKHIKY-OAHLLOKOSA-N
XLogP3.95
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
3-[4-amino-7-(1H-pyrazol-5-yl)pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
CID 177195381
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
3-[[8-amino-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-[(4-methylpyrimidin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195401
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
3-[[8-amino-5-methyl-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195431
3-[[8-Amino-3-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-yl]oxy]-2,4-dimethylphenol
CID 177195439
1-amino-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-4-carbonitrile
CID 177195444
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
5-(3-Methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 177195458

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN[C@@H]1CCN(c2cc3c(-c4nnc(C)s4)cnc(N)c3c(Oc3c(C)ccc(O)c3C)n2)C1.
What is the InChIKey of 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?
The InChIKey is GWEGTGILXKHIKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-12-5-6-18(32)13(2)21(12)33-23-20-16(9-19(28-23)31-8-7-15(11-31)26-4)17(10-27-22(20)25)24-30-29-14(3)34-24/h5-6,9-10,15,26,32H,7-8,11H2,1-4H3,(H2,25,27)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 477.59 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177195470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).