4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole

C26H19N17S — CID 141383760

IUPAC4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole
SMILESc1ccc(C2=C(c3cnccn3)C(c3ccn[nH]3)N(c3ccn[nH]3)C(c3cccnn3)(c3csnn3)N2c2nn[nH]n2)nc1
InChIInChI=1S/C26H19N17S/c1-2-8-28-16(4-1)23-22(18-14-27-12-13-29-18)24(17-6-10-31-33-17)42(21-7-11-32-36-21)26(20-15-44-41-35-20,19-5-3-9-30-34-19)43(23)25-37-39-40-38-25/h1-15,24H,(H,31,33)(H,32,36)(H,37,38,39,40)
InChIKeyVBCVRMRTTDFUOG-UHFFFAOYSA-N
MW601.62 g/mol
LogP2.01
Rot. Bonds7

About 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole

4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole (PubChem CID 141383760) has the molecular formula C26H19N17S and a molecular weight of 601.62 g/mol. Its IUPAC name is 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole.

Molecular Properties

Compound Name4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole
PubChem CID141383760
Molecular FormulaC26H19N17S
Molecular Weight601.62 g/mol
Exact Mass601.17
IUPAC Name4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole
SMILESc1ccc(C2=C(c3cnccn3)C(c3ccn[nH]3)N(c3ccn[nH]3)C(c3cccnn3)(c3csnn3)N2c2nn[nH]n2)nc1
InChIInChI=1S/C26H19N17S/c1-2-8-28-16(4-1)23-22(18-14-27-12-13-29-18)24(17-6-10-31-33-17)42(21-7-11-32-36-21)26(20-15-44-41-35-20,19-5-3-9-30-34-19)43(23)25-37-39-40-38-25/h1-15,24H,(H,31,33)(H,32,36)(H,37,38,39,40)
InChIKeyVBCVRMRTTDFUOG-UHFFFAOYSA-N
XLogP2.01
TPSA208.53 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.62
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole with MolForge

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Related Compounds

US10221172, Example 51
CID 122419068
US10544143, Example 56
CID 138686382
US10544143, Example 77
CID 138686802
US10221172, Example 58
CID 122419155
3-(piperidin-1-ylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]thiazolo[4,5-b]pyridin-6-amine
CID 134194983
2-[5-(1H-imidazol-2-yl)-3-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-4-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-1,2,4-triazolidin-1-yl]-1,3,5-triazine
CID 141026531
4-[2-pyridazin-3-yl-4-pyridin-2-yl-6-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)pyrimidin-5-yl]thiadiazole
CID 141035145
4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole
CID 141042259
3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole
CID 141084271
4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole
CID 141104600
4-[3-pyrazin-2-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4H-pyridazin-6-yl]thiadiazole
CID 141147609
4-[3-(1H-pyrazol-5-yl)-5-pyridin-2-yl-6-pyrimidin-2-ylpyridazin-4-yl]thiadiazole
CID 141149906

Frequently Asked Questions

What is the IUPAC name of 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole?
The IUPAC name of 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole (CID 141383760) is 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole.
What is the SMILES notation for 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole?
The canonical SMILES for 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole is c1ccc(C2=C(c3cnccn3)C(c3ccn[nH]3)N(c3ccn[nH]3)C(c3cccnn3)(c3csnn3)N2c2nn[nH]n2)nc1.
What is the InChIKey of 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole?
The InChIKey is VBCVRMRTTDFUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N17S/c1-2-8-28-16(4-1)23-22(18-14-27-12-13-29-18)24(17-6-10-31-33-17)42(21-7-11-32-36-21)26(20-15-44-41-35-20,19-5-3-9-30-34-19)43(23)25-37-39-40-38-25/h1-15,24H,(H,31,33)(H,32,36)(H,37,38,39,40).
What are the key properties of 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole?
4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole has a molecular weight of 601.62 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-pyrazin-2-yl-3,4-bis(1H-pyrazol-5-yl)-2-pyridazin-3-yl-6-pyridin-2-yl-1-(2H-tetrazol-5-yl)-4H-pyrimidin-2-yl]thiadiazole is sourced from PubChem (CID 141383760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).