4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine

C22H25N11OS — CID 140973705

IUPAC4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine
SMILESC1=CNN(C2(c3ccc[nH]3)C(c3ccn[nH]3)ON(c3ncc[nH]3)C2(c2nccs2)N2CCCN2)C1
InChIInChI=1S/C22H25N11OS/c1-4-17(23-6-1)21(31-13-2-7-28-31)18(16-5-9-27-30-16)34-33(20-25-10-11-26-20)22(21,19-24-12-15-35-19)32-14-3-8-29-32/h1-2,4-7,9-12,15,18,23,28-29H,3,8,13-14H2,(H,25,26)(H,27,30)
InChIKeyKZQPADPWBFIMFY-UHFFFAOYSA-N
MW491.59 g/mol
LogP1.70
Rot. Bonds6

About 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine

4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine (PubChem CID 140973705) has the molecular formula C22H25N11OS and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine
PubChem CID140973705
Molecular FormulaC22H25N11OS
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC Name4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine
SMILESC1=CNN(C2(c3ccc[nH]3)C(c3ccn[nH]3)ON(c3ncc[nH]3)C2(c2nccs2)N2CCCN2)C1
InChIInChI=1S/C22H25N11OS/c1-4-17(23-6-1)21(31-13-2-7-28-31)18(16-5-9-27-30-16)34-33(20-25-10-11-26-20)22(21,19-24-12-15-35-19)32-14-3-8-29-32/h1-2,4-7,9-12,15,18,23,28-29H,3,8,13-14H2,(H,25,26)(H,27,30)
InChIKeyKZQPADPWBFIMFY-UHFFFAOYSA-N
XLogP1.70
TPSA129.05 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine with MolForge

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Related Compounds

5-(1H-imidazol-2-yl)-5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140980319
4-(1H-imidazol-2-yl)-4-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 141008988
2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine
CID 141026541
2-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)morpholine
CID 141155831
2-[4-(1H-imidazol-2-yl)-2-(oxetan-2-yloxy)-3-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)thietan-2-yl]-1,3-thiazole
CID 141275713
2-[4-imidazol-1-yl-5-(1H-pyrrol-2-yl)-2-(triazin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-3-yl]-1,3-thiazole
CID 141322112

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The IUPAC name of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine (CID 140973705) is 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine.
What is the SMILES notation for 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The canonical SMILES for 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine is C1=CNN(C2(c3ccc[nH]3)C(c3ccn[nH]3)ON(c3ncc[nH]3)C2(c2nccs2)N2CCCN2)C1.
What is the InChIKey of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The InChIKey is KZQPADPWBFIMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N11OS/c1-4-17(23-6-1)21(31-13-2-7-28-31)18(16-5-9-27-30-16)34-33(20-25-10-11-26-20)22(21,19-24-12-15-35-19)32-14-3-8-29-32/h1-2,4-7,9-12,15,18,23,28-29H,3,8,13-14H2,(H,25,26)(H,27,30).
What are the key properties of 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine?
4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine has a molecular weight of 491.59 g/mol, XLogP of 1.70, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-3-pyrazolidin-1-yl-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazolidine is sourced from PubChem (CID 140973705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).