2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine

C28H22N14O — CID 141270812

IUPAC2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine
SMILESc1cnc(C2(c3ncc[nH]3)C(c3cnccn3)(c3cn[nH]n3)OC(c3ccc[nH]3)C2(c2cccnn2)c2ccn[nH]2)nc1
InChIInChI=1S/C28H22N14O/c1-4-18(30-7-1)23-26(20-6-11-37-40-20,19-5-2-10-36-39-19)27(25-34-14-15-35-25,24-32-8-3-9-33-24)28(43-23,22-17-38-42-41-22)21-16-29-12-13-31-21/h1-17,23,30H,(H,34,35)(H,37,40)(H,38,41,42)
InChIKeyUKKUNFLAFBJAJJ-UHFFFAOYSA-N
MW570.58 g/mol
LogP1.94
Rot. Bonds7

About 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine

2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine (PubChem CID 141270812) has the molecular formula C28H22N14O and a molecular weight of 570.58 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine
PubChem CID141270812
Molecular FormulaC28H22N14O
Molecular Weight570.58 g/mol
Exact Mass570.21
IUPAC Name2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine
SMILESc1cnc(C2(c3ncc[nH]3)C(c3cnccn3)(c3cn[nH]n3)OC(c3ccc[nH]3)C2(c2cccnn2)c2ccn[nH]2)nc1
InChIInChI=1S/C28H22N14O/c1-4-18(30-7-1)23-26(20-6-11-37-40-20,19-5-2-10-36-39-19)27(25-34-14-15-35-25,24-32-8-3-9-33-24)28(43-23,22-17-38-42-41-22)21-16-29-12-13-31-21/h1-17,23,30H,(H,34,35)(H,37,40)(H,38,41,42)
InChIKeyUKKUNFLAFBJAJJ-UHFFFAOYSA-N
XLogP1.94
TPSA201.29 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.58
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine with MolForge

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Related Compounds

5-(oxolan-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 122196349
US10544143, Example 662
CID 138686814
2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760602
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760676
US10544143, Example 673
CID 138686250
US10544143, Example 658
CID 138686799
(4R)-2-(5-fluoro-2-pyridinyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760383
5-[1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 164859037
5-[(4R)-1'-[cyclopropyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyrazin-2-amine
CID 164859779
5-[1'-[cyclopropyl(1H-imidazol-2-yl)methyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyrazin-2-amine
CID 170428738
5-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 175780007
4-[(4R)-1'-(1H-imidazol-2-ylmethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 175780151

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine (CID 141270812) is 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine is c1cnc(C2(c3ncc[nH]3)C(c3cnccn3)(c3cn[nH]n3)OC(c3ccc[nH]3)C2(c2cccnn2)c2ccn[nH]2)nc1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine?
The InChIKey is UKKUNFLAFBJAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N14O/c1-4-18(30-7-1)23-26(20-6-11-37-40-20,19-5-2-10-36-39-19)27(25-34-14-15-35-25,24-32-8-3-9-33-24)28(43-23,22-17-38-42-41-22)21-16-29-12-13-31-21/h1-17,23,30H,(H,34,35)(H,37,40)(H,38,41,42).
What are the key properties of 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine?
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine has a molecular weight of 570.58 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine is sourced from PubChem (CID 141270812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).