5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide

C20H16N8O2S2 — CID 118497468

IUPAC5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
SMILESCn1cc(-c2cnc3ccc(Nc4nnc(S(=O)(=O)Nc5ccccc5)s4)nc3c2)cn1
InChIInChI=1S/C20H16N8O2S2/c1-28-12-14(11-22-28)13-9-17-16(21-10-13)7-8-18(23-17)24-19-25-26-20(31-19)32(29,30)27-15-5-3-2-4-6-15/h2-12,27H,1H3,(H,23,24,25)
InChIKeyLLABYIBUWQRPLM-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.43
Rot. Bonds6

About 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide

5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 118497468) has the molecular formula C20H16N8O2S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
PubChem CID118497468
Molecular FormulaC20H16N8O2S2
Molecular Weight464.54 g/mol
Exact Mass464.08
IUPAC Name5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
SMILESCn1cc(-c2cnc3ccc(Nc4nnc(S(=O)(=O)Nc5ccccc5)s4)nc3c2)cn1
InChIInChI=1S/C20H16N8O2S2/c1-28-12-14(11-22-28)13-9-17-16(21-10-13)7-8-18(23-17)24-19-25-26-20(31-19)32(29,30)27-15-5-3-2-4-6-15/h2-12,27H,1H3,(H,23,24,25)
InChIKeyLLABYIBUWQRPLM-UHFFFAOYSA-N
XLogP3.43
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-ethyl-N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90287896
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-5-propyl-1,3,4-thiadiazol-2-amine
CID 118497376
5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
CID 160715385
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
7-(1-methylpyrazol-4-yl)-N-(3-nitrophenyl)-1,5-naphthyridin-2-amine
CID 90288925
ethyl 2-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 90287809
7-(1-methylpyrazol-4-yl)-N-(4-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118510313
N-(5-tert-butylpyridazin-3-yl)-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504129
7-(1-methylpyrazol-4-yl)-N-(1H-pyrazol-5-yl)-1,5-naphthyridin-2-amine
CID 118497430
N-[5-(2-methylpropyl)pyridazin-3-yl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 118504173
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-carboxamide
CID 122184262
2-chloro-7-(1-methylpyrazol-4-yl)-1,5-naphthyridine;7-(1-methylpyrazol-4-yl)-N-pyridin-2-yl-1,5-naphthyridin-2-amine;pyridin-2-amine
CID 162208846

Frequently Asked Questions

What is the IUPAC name of 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide (CID 118497468) is 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide is Cn1cc(-c2cnc3ccc(Nc4nnc(S(=O)(=O)Nc5ccccc5)s4)nc3c2)cn1.
What is the InChIKey of 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is LLABYIBUWQRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O2S2/c1-28-12-14(11-22-28)13-9-17-16(21-10-13)7-8-18(23-17)24-19-25-26-20(31-19)32(29,30)27-15-5-3-2-4-6-15/h2-12,27H,1H3,(H,23,24,25).
What are the key properties of 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?
5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 464.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 118497468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).