5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole

C19H11N9S — CID 91449625

IUPAC5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole
SMILESc1cnc(-c2cccnc2-c2nccnc2-c2ccnnc2-c2cnns2)nc1
InChIInChI=1S/C19H11N9S/c1-3-13(19-23-6-2-7-24-19)17(20-5-1)18-16(21-9-10-22-18)12-4-8-25-27-15(12)14-11-26-28-29-14/h1-11H
InChIKeyVKOWUGRUFFLFAC-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.97
Rot. Bonds4

About 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole

5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole (PubChem CID 91449625) has the molecular formula C19H11N9S and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole.

Molecular Properties

Compound Name5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole
PubChem CID91449625
Molecular FormulaC19H11N9S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole
SMILESc1cnc(-c2cccnc2-c2nccnc2-c2ccnnc2-c2cnns2)nc1
InChIInChI=1S/C19H11N9S/c1-3-13(19-23-6-2-7-24-19)17(20-5-1)18-16(21-9-10-22-18)12-4-8-25-27-15(12)14-11-26-28-29-14/h1-11H
InChIKeyVKOWUGRUFFLFAC-UHFFFAOYSA-N
XLogP2.97
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridazine
CID 10470703
3,6-Bis(3-pyridyl)imidazo[1,2-b]pyridazine
CID 90670293
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
CID 155518861
5,6-Dipyridin-2-yl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine
CID 6409699
US10954216, Example 150
CID 146243291
5-Pyrazin-2-yl-2,4-dipyridin-3-ylpyrimidine
CID 4067788
2-[2-(1,5-Naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
CID 70648613
6-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridinyl]pyrazolo[1,5-a]pyridin-4-amine
CID 118249434
US9981944, Example 138
CID 122478619
US10023570, Example 743
CID 124200505
US10954216, Example 155
CID 142395356
2-Methyl-7-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
CID 142464296

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole?
The IUPAC name of 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole (CID 91449625) is 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole.
What is the SMILES notation for 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole?
The canonical SMILES for 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole is c1cnc(-c2cccnc2-c2nccnc2-c2ccnnc2-c2cnns2)nc1.
What is the InChIKey of 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole?
The InChIKey is VKOWUGRUFFLFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N9S/c1-3-13(19-23-6-2-7-24-19)17(20-5-1)18-16(21-9-10-22-18)12-4-8-25-27-15(12)14-11-26-28-29-14/h1-11H.
What are the key properties of 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole?
5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole has a molecular weight of 397.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(3-pyrimidin-2-yl-2-pyridinyl)pyrazin-2-yl]pyridazin-3-yl]thiadiazole is sourced from PubChem (CID 91449625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).