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

C26H29N7O2S — CID 177195395

IUPAC3-[[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
SMILESCc1nnc(-c2cnc(N)c3c(Oc4c(C)ccc(O)c4C)nc(N4CCC5(CCN5)CC4)cc23)s1
InChIInChI=1S/C26H29N7O2S/c1-14-4-5-19(34)15(2)22(14)35-24-21-17(18(13-28-23(21)27)25-32-31-16(3)36-25)12-20(30-24)33-10-7-26(8-11-33)6-9-29-26/h4-5,12-13,29,34H,6-11H2,1-3H3,(H2,27,28)
InChIKeyFMZSSTKPDKKWDX-UHFFFAOYSA-N
MW503.63 g/mol
LogP4.49
Rot. Bonds4

About 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

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 (PubChem CID 177195395) has the molecular formula C26H29N7O2S and a molecular weight of 503.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID177195395
Molecular FormulaC26H29N7O2S
Molecular Weight503.63 g/mol
Exact Mass503.21
IUPAC Name3-[[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
SMILESCc1nnc(-c2cnc(N)c3c(Oc4c(C)ccc(O)c4C)nc(N4CCC5(CCN5)CC4)cc23)s1
InChIInChI=1S/C26H29N7O2S/c1-14-4-5-19(34)15(2)22(14)35-24-21-17(18(13-28-23(21)27)25-32-31-16(3)36-25)12-20(30-24)33-10-7-26(8-11-33)6-9-29-26/h4-5,12-13,29,34H,6-11H2,1-3H3,(H2,27,28)
InChIKeyFMZSSTKPDKKWDX-UHFFFAOYSA-N
XLogP4.49
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 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-[[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
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-(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
3-[4-Amino-7-[4-(methylamino)pyrazol-1-yl]pyrido[4,3-d]pyrimidin-5-yl]oxy-2,4-dimethylphenol
CID 177195479

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc(-c2cnc(N)c3c(Oc4c(C)ccc(O)c4C)nc(N4CCC5(CCN5)CC4)cc23)s1.
What is the InChIKey of 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?
The InChIKey is FMZSSTKPDKKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S/c1-14-4-5-19(34)15(2)22(14)35-24-21-17(18(13-28-23(21)27)25-32-31-16(3)36-25)12-20(30-24)33-10-7-26(8-11-33)6-9-29-26/h4-5,12-13,29,34H,6-11H2,1-3H3,(H2,27,28).
What are the key properties of 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?
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 has a molecular weight of 503.63 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177195395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).