2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine

C87H86N32O6S3 — CID 141231315

About 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine

2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine (PubChem CID 141231315) has the molecular formula C87H86N32O6S3 and a molecular weight of 1772.06 g/mol. Its IUPAC name is 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine.

Molecular Properties

• Compound Name: 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine
• PubChem CID: 141231315
• Molecular Formula: C87H86N32O6S3
• Molecular Weight: 1772.06 g/mol
• Exact Mass: 1770.66
• IUPAC Name: 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine
• SMILES: C1=COC(C2(c3ccccn3)N(c3cnon3)C(c3cc[nH]n3)(c3ncc[nH]3)C(c3ccsn3)(c3nccs3)N(N3C(c4cnccn4)(N4C=CCC4)C(N4C=NCC4)(N4CCCC4)OC(N4CCNC4)(N4CCC=N4)C3(N3CCCN3)N3CCC(c4ccco4)C(c4ccc[nH]4)(c4cccs4)C3(c3ccon3)c3ncco3)C2(c2cccnn2)c2ncccn2)C=C1
• InChI: InChI=1S/C87H86N32O6S3/c1-3-26-92-65(17-1)79(71-20-2-8-51-121-71)81(66-19-10-30-100-105-66,75-94-28-13-29-95-75)118(83(69-25-56-128-109-69,77-99-41-57-127-77)80(67-22-33-101-106-67,74-96-36-37-97-74)117(79)73-59-104-125-108-73)119-84(110-42-4-5-43-110,70-58-88-34-35-93-70)86(111-44-6-7-45-111,112-49-38-89-60-112)124-87(113-50-39-90-61-113,116-47-15-32-103-116)85(119,115-46-14-31-102-115)114-48-23-62(63-16-11-52-120-63)78(64-18-9-27-91-64,72-21-12-55-126-72)82(114,68-24-53-123-107-68)76-98-40-54-122-76/h1-4,8-13,16-22,24-30,32-37,40-42,51-60,62,71,90-91,102H,5-7,14-15,23,31,38-39,43-50,61H2,(H,96,97)(H,101,106)
• InChIKey: IXPGBORLFKCVMZ-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 392.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.06
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine?

The IUPAC name of 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine (CID 141231315) is 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine.

What is the SMILES notation for 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine?

The canonical SMILES for 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine is C1=COC(C2(c3ccccn3)N(c3cnon3)C(c3cc[nH]n3)(c3ncc[nH]3)C(c3ccsn3)(c3nccs3)N(N3C(c4cnccn4)(N4C=CCC4)C(N4C=NCC4)(N4CCCC4)OC(N4CCNC4)(N4CCC=N4)C3(N3CCCN3)N3CCC(c4ccco4)C(c4ccc[nH]4)(c4cccs4)C3(c3ccon3)c3ncco3)C2(c2cccnn2)c2ncccn2)C=C1.

What is the InChIKey of 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine?

The InChIKey is IXPGBORLFKCVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H86N32O6S3/c1-3-26-92-65(17-1)79(71-20-2-8-51-121-71)81(66-19-10-30-100-105-66,75-94-28-13-29-95-75)118(83(69-25-56-128-109-69,77-99-41-57-127-77)80(67-22-33-101-106-67,74-96-36-37-97-74)117(79)73-59-104-125-108-73)119-84(110-42-4-5-43-110,70-58-88-34-35-93-70)86(111-44-6-7-45-111,112-49-38-89-60-112)124-87(113-50-39-90-61-113,116-47-15-32-103-116)85(119,115-46-14-31-102-115)114-48-23-62(63-16-11-52-120-63)78(64-18-9-27-91-64,72-21-12-55-126-72)82(114,68-24-53-123-107-68)76-98-40-54-122-76/h1-4,8-13,16-22,24-30,32-37,40-42,51-60,62,71,90-91,102H,5-7,14-15,23,31,38-39,43-50,61H2,(H,96,97)(H,101,106).

What are the key properties of 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine?

2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine has a molecular weight of 1772.06 g/mol, XLogP of 8.37, 23 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine is sourced from PubChem (CID 141231315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).