4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine

C24H28F2N8O4S — CID 67119476

IUPAC4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine
SMILESCOc1c(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(S(C)(=O)=O)CC2)ccc2[nH]c(C(F)F)nc12
InChIInChI=1S/C24H28F2N8O4S/c1-37-20-15(3-4-16-18(20)29-22(28-16)21(25)26)17-19-23(31-24(30-17)32-9-11-38-12-10-32)34(13-27-19)14-5-7-33(8-6-14)39(2,35)36/h3-4,13-14,21H,5-12H2,1-2H3,(H,28,29)
InChIKeyOEPCEPZBURRQTI-UHFFFAOYSA-N
MW562.60 g/mol
LogP2.75
Rot. Bonds6

About 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine

4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine (PubChem CID 67119476) has the molecular formula C24H28F2N8O4S and a molecular weight of 562.60 g/mol. Its IUPAC name is 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine
PubChem CID67119476
Molecular FormulaC24H28F2N8O4S
Molecular Weight562.60 g/mol
Exact Mass562.19
IUPAC Name4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine
SMILESCOc1c(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(S(C)(=O)=O)CC2)ccc2[nH]c(C(F)F)nc12
InChIInChI=1S/C24H28F2N8O4S/c1-37-20-15(3-4-16-18(20)29-22(28-16)21(25)26)17-19-23(31-24(30-17)32-9-11-38-12-10-32)34(13-27-19)14-5-7-33(8-6-14)39(2,35)36/h3-4,13-14,21H,5-12H2,1-2H3,(H,28,29)
InChIKeyOEPCEPZBURRQTI-UHFFFAOYSA-N
XLogP2.75
TPSA131.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pwt-33597
CID 46917355
N-[[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 46917427
N-[[1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 46917428
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 46917429
6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-1-[1-(methylsulfonyl)-4-piperidinyl]-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 46917571
2-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-9-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-7H-purin-8-one
CID 46917652
4-[2-[2-(Difluoromethyl)-4-methoxybenzimidazol-1-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-6-yl]morpholine
CID 46917653
4-[5-[2-(Difluoromethyl)-4-methoxybenzimidazol-1-yl]-3-(1-methylsulfonylpiperidin-4-yl)triazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 46917654
N-{1-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-4-piperidinyl}methanesulfonamide
CID 46917723
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 46917805
N-[(3S)-1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-3-yl]methanesulfonamide
CID 46917933
N-[(3R)-1-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrrolidin-3-yl]methanesulfonamide
CID 46917935

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine?
The IUPAC name of 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine (CID 67119476) is 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine?
The canonical SMILES for 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine is COc1c(-c2nc(N3CCOCC3)nc3c2ncn3C2CCN(S(C)(=O)=O)CC2)ccc2[nH]c(C(F)F)nc12.
What is the InChIKey of 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine?
The InChIKey is OEPCEPZBURRQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O4S/c1-37-20-15(3-4-16-18(20)29-22(28-16)21(25)26)17-19-23(31-24(30-17)32-9-11-38-12-10-32)34(13-27-19)14-5-7-33(8-6-14)39(2,35)36/h3-4,13-14,21H,5-12H2,1-2H3,(H,28,29).
What are the key properties of 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine?
4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine has a molecular weight of 562.60 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-5-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine is sourced from PubChem (CID 67119476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).