3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole

C24H19N17O — CID 141271208

IUPAC3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole
SMILESc1cnnc(C2(c3cn[nH]n3)N(c3ncc[nH]3)C(c3ccon3)=C(c3ccc[nH]3)C(c3ccn[nH]3)N2c2nn[nH]n2)c1
InChIInChI=1S/C24H19N17O/c1-3-14(25-7-1)19-20(15-5-9-29-31-15)41(23-34-38-39-35-23)24(18-13-30-37-33-18,17-4-2-8-28-32-17)40(22-26-10-11-27-22)21(19)16-6-12-42-36-16/h1-13,20,25H,(H,26,27)(H,29,31)(H,30,33,37)(H,34,35,38,39)
InChIKeyFBEFJRHJTYWCHI-UHFFFAOYSA-N
MW561.53 g/mol
LogP1.41
Rot. Bonds7

About 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole

3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole (PubChem CID 141271208) has the molecular formula C24H19N17O and a molecular weight of 561.53 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole
PubChem CID141271208
Molecular FormulaC24H19N17O
Molecular Weight561.53 g/mol
Exact Mass561.20
IUPAC Name3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole
SMILESc1cnnc(C2(c3cn[nH]n3)N(c3ncc[nH]3)C(c3ccon3)=C(c3ccc[nH]3)C(c3ccn[nH]3)N2c2nn[nH]n2)c1
InChIInChI=1S/C24H19N17O/c1-3-14(25-7-1)19-20(15-5-9-29-31-15)41(23-34-38-39-35-23)24(18-13-30-37-33-18,17-4-2-8-28-32-17)40(22-26-10-11-27-22)21(19)16-6-12-42-36-16/h1-13,20,25H,(H,26,27)(H,29,31)(H,30,33,37)(H,34,35,38,39)
InChIKeyFBEFJRHJTYWCHI-UHFFFAOYSA-N
XLogP1.41
TPSA227.47 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.53
LogP ≤ 51.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole with MolForge

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Related Compounds

6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
CID 126607509
6-[3-(4-fluorophenyl)-1-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
CID 126607668
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11373058
2-[(2S)-2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11950787
4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 67383649
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68817510
2-[2-[3-[3-(ethylamino)pyrazin-2-yl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 68869291
6-N-(3-methoxypropyl)-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-4-yl)pyrrolidin-1-yl]pyrimidine-4,6-diamine
CID 91105429
3-[6-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141064478
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-4H-pyrimidin-5-yl]-1,2-oxazole
CID 141079057
4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine
CID 141219824
5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;4-methyl-3H-pyrazole;3-methylpyridine;3-methyl-2H-pyrrole;4-methyl-1,2,4-triazole
CID 158261045

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole?
The IUPAC name of 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole (CID 141271208) is 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole.
What is the SMILES notation for 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole?
The canonical SMILES for 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole is c1cnnc(C2(c3cn[nH]n3)N(c3ncc[nH]3)C(c3ccon3)=C(c3ccc[nH]3)C(c3ccn[nH]3)N2c2nn[nH]n2)c1.
What is the InChIKey of 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole?
The InChIKey is FBEFJRHJTYWCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N17O/c1-3-14(25-7-1)19-20(15-5-9-29-31-15)41(23-34-38-39-35-23)24(18-13-30-37-33-18,17-4-2-8-28-32-17)40(22-26-10-11-27-22)21(19)16-6-12-42-36-16/h1-13,20,25H,(H,26,27)(H,29,31)(H,30,33,37)(H,34,35,38,39).
What are the key properties of 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole?
3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole has a molecular weight of 561.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-5-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-6-yl]-1,2-oxazole is sourced from PubChem (CID 141271208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).