N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C25H25N9O3S2 — CID 118497414

IUPACN-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(Nc2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)cc3n2)s1)c1ccccc1
InChIInChI=1S/C25H25N9O3S2/c35-39(36,20-4-2-1-3-5-20)32-25-31-30-24(38-25)29-23-7-6-21-22(28-23)14-18(15-26-21)19-16-27-34(17-19)9-8-33-10-12-37-13-11-33/h1-7,14-17H,8-13H2,(H,31,32)(H,28,29,30)
InChIKeyWXURSYYORROLBY-UHFFFAOYSA-N
MW563.67 g/mol
LogP3.22
Rot. Bonds9

About N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 118497414) has the molecular formula C25H25N9O3S2 and a molecular weight of 563.67 g/mol. Its IUPAC name is N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID118497414
Molecular FormulaC25H25N9O3S2
Molecular Weight563.67 g/mol
Exact Mass563.15
IUPAC NameN-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(Nc2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)cc3n2)s1)c1ccccc1
InChIInChI=1S/C25H25N9O3S2/c35-39(36,20-4-2-1-3-5-20)32-25-31-30-24(38-25)29-23-7-6-21-22(28-23)14-18(15-26-21)19-16-27-34(17-19)9-8-33-10-12-37-13-11-33/h1-7,14-17H,8-13H2,(H,31,32)(H,28,29,30)
InChIKeyWXURSYYORROLBY-UHFFFAOYSA-N
XLogP3.22
TPSA140.05 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.67
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 118497414) is N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nnc(Nc2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)cc3n2)s1)c1ccccc1.
What is the InChIKey of N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is WXURSYYORROLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O3S2/c35-39(36,20-4-2-1-3-5-20)32-25-31-30-24(38-25)29-23-7-6-21-22(28-23)14-18(15-26-21)19-16-27-34(17-19)9-8-33-10-12-37-13-11-33/h1-7,14-17H,8-13H2,(H,31,32)(H,28,29,30).
What are the key properties of N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 563.67 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 118497414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).