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

C23H18N8O — CID 141066663

IUPAC3-[2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-3-(1H-pyrrol-2-yl)pyrrol-3-yl]-1,2-oxazole
SMILESC1=CC(c2ccon2)(c2ccc[nH]2)C(c2ccncc2)(c2cnccn2)N1c1ccn[nH]1
InChIInChI=1S/C23H18N8O/c1-2-18(26-8-1)22(19-6-15-32-30-19)7-14-31(21-5-11-28-29-21)23(22,17-3-9-24-10-4-17)20-16-25-12-13-27-20/h1-16,26H,(H,28,29)
InChIKeyMMVOKKYNSRRQBI-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.17
Rot. Bonds5

About 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

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 (PubChem CID 141066663) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-3-(1H-pyrrol-2-yl)pyrrol-3-yl]-1,2-oxazole
PubChem CID141066663
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name3-[2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridin-4-yl-3-(1H-pyrrol-2-yl)pyrrol-3-yl]-1,2-oxazole
SMILESC1=CC(c2ccon2)(c2ccc[nH]2)C(c2ccncc2)(c2cnccn2)N1c1ccn[nH]1
InChIInChI=1S/C23H18N8O/c1-2-18(26-8-1)22(19-6-15-32-30-19)7-14-31(21-5-11-28-29-21)23(22,17-3-9-24-10-4-17)20-16-25-12-13-27-20/h1-16,26H,(H,28,29)
InChIKeyMMVOKKYNSRRQBI-UHFFFAOYSA-N
XLogP3.17
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 11950960
2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11951135
6-methyl-2-[(2S)-2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11951304
N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 11951305
2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 68866796
6-methyl-2-[2-[3-[2-(methylamino)-3-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 68867008
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 68869123
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 68869446
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-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3H-pyrazolo[3,4-b]pyridin-5-amine
CID 134198375
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
3-[7-(1H-imidazol-2-yl)-1-pyrazin-2-yl-8-(1H-pyrazol-3-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-2H-phthalazin-1-yl]-1,2-oxazole
CID 141174879

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2ccon2)(c2ccc[nH]2)C(c2ccncc2)(c2cnccn2)N1c1ccn[nH]1.
What is the InChIKey of 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?
The InChIKey is MMVOKKYNSRRQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c1-2-18(26-8-1)22(19-6-15-32-30-19)7-14-31(21-5-11-28-29-21)23(22,17-3-9-24-10-4-17)20-16-25-12-13-27-20/h1-16,26H,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 422.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141066663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).