3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine

C29H31N11OS2 — CID 141221813

IUPAC3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1ccc(C2(N3CCCC3)OC(c3cnccn3)(c3nccs3)C(c3csnn3)(N3CCCCC3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C29H31N11OS2/c1-4-15-38(16-5-1)28(24-21-43-37-36-24)27(25-33-14-19-42-25,23-20-30-10-11-32-23)41-29(39-17-6-7-18-39,22-8-2-3-9-31-22)40(28)26-34-12-13-35-26/h2-3,8-14,19-21H,1,4-7,15-18H2,(H,34,35)
InChIKeyQCVLPEWCLLHLAW-UHFFFAOYSA-N
MW613.78 g/mol
LogP3.93
Rot. Bonds7

About 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine

3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine (PubChem CID 141221813) has the molecular formula C29H31N11OS2 and a molecular weight of 613.78 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
PubChem CID141221813
Molecular FormulaC29H31N11OS2
Molecular Weight613.78 g/mol
Exact Mass613.22
IUPAC Name3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESc1ccc(C2(N3CCCC3)OC(c3cnccn3)(c3nccs3)C(c3csnn3)(N3CCCCC3)N2c2ncc[nH]2)nc1
InChIInChI=1S/C29H31N11OS2/c1-4-15-38(16-5-1)28(24-21-43-37-36-24)27(25-33-14-19-42-25,23-20-30-10-11-32-23)41-29(39-17-6-7-18-39,22-8-2-3-9-31-22)40(28)26-34-12-13-35-26/h2-3,8-14,19-21H,1,4-7,15-18H2,(H,34,35)
InChIKeyQCVLPEWCLLHLAW-UHFFFAOYSA-N
XLogP3.93
TPSA124.97 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine with MolForge

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Launch Full Analysis

Related Compounds

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
4-(1H-pyrazol-5-yl)-3-pyridin-2-yl-2-pyrimidin-2-yl-5-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-(triazin-4-yl)-1,3-oxazolidine
CID 141046972
2-[3-(1H-imidazol-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-2-thiophen-2-yl-4-(2H-triazol-4-yl)furan-2-yl]-1,3-benzothiazole
CID 141152585
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
5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-5-(propan-2-yloxymethyl)imidazole;2-(propan-2-yloxymethyl)-1H-pyrrole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;2-(propan-2-yloxymethyl)thiophene
CID 161232783

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The IUPAC name of 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine (CID 141221813) is 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The canonical SMILES for 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine is c1ccc(C2(N3CCCC3)OC(c3cnccn3)(c3nccs3)C(c3csnn3)(N3CCCCC3)N2c2ncc[nH]2)nc1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The InChIKey is QCVLPEWCLLHLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N11OS2/c1-4-15-38(16-5-1)28(24-21-43-37-36-24)27(25-33-14-19-42-25,23-20-30-10-11-32-23)41-29(39-17-6-7-18-39,22-8-2-3-9-31-22)40(28)26-34-12-13-35-26/h2-3,8-14,19-21H,1,4-7,15-18H2,(H,34,35).
What are the key properties of 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine has a molecular weight of 613.78 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-4-piperidin-1-yl-5-pyrazin-2-yl-2-pyridin-2-yl-2-pyrrolidin-1-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 141221813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).