4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole

C18H11N9S — CID 141149906

IUPAC4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole
SMILESc1ccc(-c2c(-c3ncccn3)nnc(-c3ccn[nH]3)c2-c2csnn2)nc1
InChIInChI=1S/C18H11N9S/c1-2-6-19-11(4-1)14-15(13-10-28-27-24-13)16(12-5-9-22-23-12)25-26-17(14)18-20-7-3-8-21-18/h1-10H,(H,22,23)
InChIKeyGOKSFYUXZHABMD-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.90
Rot. Bonds4

About 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole

4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole (PubChem CID 141149906) has the molecular formula C18H11N9S and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole
PubChem CID141149906
Molecular FormulaC18H11N9S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole
SMILESc1ccc(-c2c(-c3ncccn3)nnc(-c3ccn[nH]3)c2-c2csnn2)nc1
InChIInChI=1S/C18H11N9S/c1-2-6-19-11(4-1)14-15(13-10-28-27-24-13)16(12-5-9-22-23-12)25-26-17(14)18-20-7-3-8-21-18/h1-10H,(H,22,23)
InChIKeyGOKSFYUXZHABMD-UHFFFAOYSA-N
XLogP2.90
TPSA118.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979518
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706158
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 137038557
5-pyridin-3-yl-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137042598
5-pyridin-3-yl-3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109763
5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137110535
2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 56663574
1-Methyl-4-[4-[3-(2-pyridinyl)-1H-pyrazol-4-yl][2,3'-bipyridin]-6'-yl]piperazine
CID 56667031
2-imidazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 56683923
4-(5-pyridin-4-yl-1H-pyrazol-4-yl)-2-pyrrolidin-1-ylpyrimidine
CID 118741275
2-methylsulfanyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68752651
(2R)-3-phenyl-1-N-[7-(1H-pyrazol-5-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]propane-1,2-diamine
CID 89596261

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole?
The IUPAC name of 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole (CID 141149906) is 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole.
What is the SMILES notation for 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole?
The canonical SMILES for 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole is c1ccc(-c2c(-c3ncccn3)nnc(-c3ccn[nH]3)c2-c2csnn2)nc1.
What is the InChIKey of 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole?
The InChIKey is GOKSFYUXZHABMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N9S/c1-2-6-19-11(4-1)14-15(13-10-28-27-24-13)16(12-5-9-22-23-12)25-26-17(14)18-20-7-3-8-21-18/h1-10H,(H,22,23).
What are the key properties of 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole?
4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole has a molecular weight of 385.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole is sourced from PubChem (CID 141149906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).