4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine

C29H20N16O — CID 141087437

IUPAC4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine
SMILESc1ccc(C2=C(c3ncccn3)C(c3cnccn3)C(c3cccnn3)(c3ccn[nH]3)C(c3ccnnn3)(c3nn[nH]n3)O2)nc1
InChIInChI=1S/C29H20N16O/c1-2-9-31-18(5-1)25-23(26-33-10-4-11-34-26)24(19-17-30-15-16-32-19)28(21-7-13-36-39-21,20-6-3-12-35-38-20)29(46-25,27-41-44-45-42-27)22-8-14-37-43-40-22/h1-17,24H,(H,36,39)(H,41,42,44,45)
InChIKeyDJFLILVZZUMUDH-UHFFFAOYSA-N
MW608.59 g/mol
LogP1.49
Rot. Bonds7

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

4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine (PubChem CID 141087437) has the molecular formula C29H20N16O and a molecular weight of 608.59 g/mol. Its IUPAC name is 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine.

Molecular Properties

Compound Name4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine
PubChem CID141087437
Molecular FormulaC29H20N16O
Molecular Weight608.59 g/mol
Exact Mass608.20
IUPAC Name4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine
SMILESc1ccc(C2=C(c3ncccn3)C(c3cnccn3)C(c3cccnn3)(c3ccn[nH]3)C(c3ccnnn3)(c3nn[nH]n3)O2)nc1
InChIInChI=1S/C29H20N16O/c1-2-9-31-18(5-1)25-23(26-33-10-4-11-34-26)24(19-17-30-15-16-32-19)28(21-7-13-36-39-21,20-6-3-12-35-38-20)29(46-25,27-41-44-45-42-27)22-8-14-37-43-40-22/h1-17,24H,(H,36,39)(H,41,42,44,45)
InChIKeyDJFLILVZZUMUDH-UHFFFAOYSA-N
XLogP1.49
TPSA221.27 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.59
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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

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Launch Full Analysis

Related Compounds

US10544143, Example 662
CID 138686814
US10544143, Example 673
CID 138686250
US10544143, Example 664
CID 138686653
2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760272
3-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760707
1-[6-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,5-naphthyridine
CID 146641631
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 136945539
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 136945555
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945576
3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136945604
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137038310
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137038436

Frequently Asked Questions

What is the IUPAC name of 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine?
The IUPAC name of 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine (CID 141087437) is 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine.
What is the SMILES notation for 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine?
The canonical SMILES for 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine is c1ccc(C2=C(c3ncccn3)C(c3cnccn3)C(c3cccnn3)(c3ccn[nH]3)C(c3ccnnn3)(c3nn[nH]n3)O2)nc1.
What is the InChIKey of 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine?
The InChIKey is DJFLILVZZUMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N16O/c1-2-9-31-18(5-1)25-23(26-33-10-4-11-34-26)24(19-17-30-15-16-32-19)28(21-7-13-36-39-21,20-6-3-12-35-38-20)29(46-25,27-41-44-45-42-27)22-8-14-37-43-40-22/h1-17,24H,(H,36,39)(H,41,42,44,45).
What are the key properties of 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine?
4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine has a molecular weight of 608.59 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-pyrazin-2-yl-3-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2-(2H-tetrazol-5-yl)-4H-pyran-2-yl]triazine is sourced from PubChem (CID 141087437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).