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

C27H19N15S2 — CID 141147609

IUPAC4-[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
SMILESc1ccc(C2=C(c3csnn3)N(c3nn[nH]n3)N(c3ccsn3)C(c3cnccn3)(c3ccc[nH]3)C2c2ncccn2)nc1
InChIInChI=1S/C27H19N15S2/c1-2-8-29-17(5-1)22-23(25-32-10-4-11-33-25)27(19-6-3-9-30-19,20-15-28-12-13-31-20)42(21-7-14-43-37-21)41(26-35-38-39-36-26)24(22)18-16-44-40-34-18/h1-16,23,30H,(H,35,36,38,39)
InChIKeyPZFNTCACCGIIDT-UHFFFAOYSA-N
MW617.69 g/mol
LogP3.35
Rot. Bonds7

About 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

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 (PubChem CID 141147609) has the molecular formula C27H19N15S2 and a molecular weight of 617.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID141147609
Molecular FormulaC27H19N15S2
Molecular Weight617.69 g/mol
Exact Mass617.14
IUPAC Name4-[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
SMILESc1ccc(C2=C(c3csnn3)N(c3nn[nH]n3)N(c3ccsn3)C(c3cnccn3)(c3ccc[nH]3)C2c2ncccn2)nc1
InChIInChI=1S/C27H19N15S2/c1-2-8-29-17(5-1)22-23(25-32-10-4-11-33-25)27(19-6-3-9-30-19,20-15-28-12-13-31-20)42(21-7-14-43-37-21)41(26-35-38-39-36-26)24(22)18-16-44-40-34-18/h1-16,23,30H,(H,35,36,38,39)
InChIKeyPZFNTCACCGIIDT-UHFFFAOYSA-N
XLogP3.35
TPSA179.85 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.69
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
4-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]thiadiazole
CID 136980266
US10544143, Example 56
CID 138686382
US10544143, Example 77
CID 138686802
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(4-phenylpiperidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 59503797
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(3-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine;N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[(6-methyl-2-pyridinyl)methyl]-1,2-thiazol-5-amine
CID 123852030
4-[5-(4-pyridin-2-yl-1H-imidazol-2-yl)-1H-triazol-4-yl]-3-[5-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-1,2-thiazole
CID 136161780
N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136495649
1-phenyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136495657
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136495658
2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136495663
N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 136495718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C(c3csnn3)N(c3nn[nH]n3)N(c3ccsn3)C(c3cnccn3)(c3ccc[nH]3)C2c2ncccn2)nc1.
What is the InChIKey of 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?
The InChIKey is PZFNTCACCGIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N15S2/c1-2-8-29-17(5-1)22-23(25-32-10-4-11-33-25)27(19-6-3-9-30-19,20-15-28-12-13-31-20)42(21-7-14-43-37-21)41(26-35-38-39-36-26)24(22)18-16-44-40-34-18/h1-16,23,30H,(H,35,36,38,39).
What are the key properties of 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?
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 has a molecular weight of 617.69 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141147609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).