3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole

C32H23N11O2 — CID 141068357

IUPAC3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole
SMILESC1=COC(C2(c3ncccn3)N(c3cnccn3)C(c3ccn[nH]3)=C(c3cccnn3)C2(c2ccccn2)c2ccon2)C=C1
InChIInChI=1S/C32H23N11O2/c1-3-12-34-24(8-1)31(25-11-20-45-42-25)28(22-7-5-15-38-40-22)29(23-10-16-39-41-23)43(27-21-33-17-18-35-27)32(31,26-9-2-4-19-44-26)30-36-13-6-14-37-30/h1-21,26H,(H,39,41)
InChIKeyNVGPSBIHGGDQDP-UHFFFAOYSA-N
MW593.61 g/mol
LogP3.90
Rot. Bonds7

About 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole

3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole (PubChem CID 141068357) has the molecular formula C32H23N11O2 and a molecular weight of 593.61 g/mol. Its IUPAC name is 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole
PubChem CID141068357
Molecular FormulaC32H23N11O2
Molecular Weight593.61 g/mol
Exact Mass593.20
IUPAC Name3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole
SMILESC1=COC(C2(c3ncccn3)N(c3cnccn3)C(c3ccn[nH]3)=C(c3cccnn3)C2(c2ccccn2)c2ccon2)C=C1
InChIInChI=1S/C32H23N11O2/c1-3-12-34-24(8-1)31(25-11-20-45-42-25)28(22-7-5-15-38-40-22)29(23-10-16-39-41-23)43(27-21-33-17-18-35-27)32(31,26-9-2-4-19-44-26)30-36-13-6-14-37-30/h1-21,26H,(H,39,41)
InChIKeyNVGPSBIHGGDQDP-UHFFFAOYSA-N
XLogP3.90
TPSA157.41 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

US10772893, Example 135
CID 118869177
US10772893, Example 112
CID 118869179
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585631
N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 11950964
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 68869079
2-[(2S)-2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(3-methylphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 69040424
2-[2-[3-(3-ethylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-methoxy-N-(3-methylphenyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 69040425
(3R)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869588
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446392
4-[4-[3-(methoxymethyl)-5-methyl-1,2-oxazol-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446403
3-methyl-4-[4-(3-methyl-1,2-oxazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446582
3-[2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-3-(1H-pyrrol-2-yl)pyrrol-3-yl]-1,2-oxazole
CID 141066663

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole (CID 141068357) is 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole is C1=COC(C2(c3ncccn3)N(c3cnccn3)C(c3ccn[nH]3)=C(c3cccnn3)C2(c2ccccn2)c2ccon2)C=C1.
What is the InChIKey of 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole?
The InChIKey is NVGPSBIHGGDQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N11O2/c1-3-12-34-24(8-1)31(25-11-20-45-42-25)28(22-7-5-15-38-40-22)29(23-10-16-39-41-23)43(27-21-33-17-18-35-27)32(31,26-9-2-4-19-44-26)30-36-13-6-14-37-30/h1-21,26H,(H,39,41).
What are the key properties of 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole?
3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole has a molecular weight of 593.61 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2H-pyran-2-yl)-1-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-ylpyrrol-3-yl]-1,2-oxazole is sourced from PubChem (CID 141068357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).