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

C27H31N7O2S — CID 177195378

IUPAC6-(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
SMILESCOc1ccc(C)c(Oc2nc(N3CCC4(CCN4)CC3)cc3c(-c4nnc(C)s4)cnc(N)c23)c1C
InChIInChI=1S/C27H31N7O2S/c1-15-5-6-20(35-4)16(2)23(15)36-25-22-18(19(14-29-24(22)28)26-33-32-17(3)37-26)13-21(31-25)34-11-8-27(9-12-34)7-10-30-27/h5-6,13-14,30H,7-12H2,1-4H3,(H2,28,29)
InChIKeyOVHJFSYBSKRODZ-UHFFFAOYSA-N
MW517.66 g/mol
LogP4.79
Rot. Bonds5

About 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

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 (PubChem CID 177195378) has the molecular formula C27H31N7O2S and a molecular weight of 517.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID177195378
Molecular FormulaC27H31N7O2S
Molecular Weight517.66 g/mol
Exact Mass517.23
IUPAC Name6-(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
SMILESCOc1ccc(C)c(Oc2nc(N3CCC4(CCN4)CC3)cc3c(-c4nnc(C)s4)cnc(N)c23)c1C
InChIInChI=1S/C27H31N7O2S/c1-15-5-6-20(35-4)16(2)23(15)36-25-22-18(19(14-29-24(22)28)26-33-32-17(3)37-26)13-21(31-25)34-11-8-27(9-12-34)7-10-30-27/h5-6,13-14,30H,7-12H2,1-4H3,(H2,28,29)
InChIKeyOVHJFSYBSKRODZ-UHFFFAOYSA-N
XLogP4.79
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.66
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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
7-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
CID 177195382
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
N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)-7-[4-[(1-methylpyrazol-4-yl)amino]piperidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 177195415
4-N-(5-cyclopropylpyrimidin-2-yl)-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridine-1,4-diamine
CID 177195424
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
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C)c(Oc2nc(N3CCC4(CCN4)CC3)cc3c(-c4nnc(C)s4)cnc(N)c23)c1C.
What is the InChIKey of 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?
The InChIKey is OVHJFSYBSKRODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2S/c1-15-5-6-20(35-4)16(2)23(15)36-25-22-18(19(14-29-24(22)28)26-33-32-17(3)37-26)13-21(31-25)34-11-8-27(9-12-34)7-10-30-27/h5-6,13-14,30H,7-12H2,1-4H3,(H2,28,29).
What are the key properties of 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?
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 has a molecular weight of 517.66 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177195378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).