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

C26H26N8O3S — CID 177195430

IUPAC3-[[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
SMILESCc1ccc(O)c(C)c1Oc1nc(-c2cnn(C)c2)cc2c(-c3nnc(N4CCOCC4)s3)cnc(N)c12
InChIInChI=1S/C26H26N8O3S/c1-14-4-5-20(35)15(2)22(14)37-24-21-17(10-19(30-24)16-11-29-33(3)13-16)18(12-28-23(21)27)25-31-32-26(38-25)34-6-8-36-9-7-34/h4-5,10-13,35H,6-9H2,1-3H3,(H2,27,28)
InChIKeyBGIQOBMXMRHQQS-UHFFFAOYSA-N
MW530.61 g/mol
LogP4.08
Rot. Bonds5

About 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

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 (PubChem CID 177195430) has the molecular formula C26H26N8O3S and a molecular weight of 530.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID177195430
Molecular FormulaC26H26N8O3S
Molecular Weight530.61 g/mol
Exact Mass530.18
IUPAC Name3-[[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
SMILESCc1ccc(O)c(C)c1Oc1nc(-c2cnn(C)c2)cc2c(-c3nnc(N4CCOCC4)s3)cnc(N)c12
InChIInChI=1S/C26H26N8O3S/c1-14-4-5-20(35)15(2)22(14)37-24-21-17(10-19(30-24)16-11-29-33(3)13-16)18(12-28-23(21)27)25-31-32-26(38-25)34-6-8-36-9-7-34/h4-5,10-13,35H,6-9H2,1-3H3,(H2,27,28)
InChIKeyBGIQOBMXMRHQQS-UHFFFAOYSA-N
XLogP4.08
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 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

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
1-[3-[[8-[Bis[(2,4-dimethoxyphenyl)methyl]amino]-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
CID 135345252
5-[4-[[(2R)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1-benzofuran-4-ol
CID 176277017
5-[4-[[(2S)-oxolan-2-yl]methylamino]pyrido[3,4-d]pyridazin-1-yl]-2,3-dihydro-1-benzofuran-4-ol
CID 176917712
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-(3-methoxy-2,6-dimethylphenoxy)-4-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-1-amine
CID 177195434
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(O)c(C)c1Oc1nc(-c2cnn(C)c2)cc2c(-c3nnc(N4CCOCC4)s3)cnc(N)c12.
What is the InChIKey of 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?
The InChIKey is BGIQOBMXMRHQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O3S/c1-14-4-5-20(35)15(2)22(14)37-24-21-17(10-19(30-24)16-11-29-33(3)13-16)18(12-28-23(21)27)25-31-32-26(38-25)34-6-8-36-9-7-34/h4-5,10-13,35H,6-9H2,1-3H3,(H2,27,28).
What are the key properties of 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?
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 has a molecular weight of 530.61 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177195430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).