3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine

C117H89F13N24O5 — CID 158955892

About 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine

3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine (PubChem CID 158955892) has the molecular formula C117H89F13N24O5 and a molecular weight of 2158.14 g/mol. Its IUPAC name is 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine
• PubChem CID: 158955892
• Molecular Formula: C117H89F13N24O5
• Molecular Weight: 2158.14 g/mol
• Exact Mass: 2156.72
• IUPAC Name: 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine
• SMILES: CC(F)(F)c1cc(Cc2noc3c(C#Cc4ccc5cncn5c4)c(-c4ccccc4)ncc23)cc(CN2CCCCC2)c1.CC1CCN(Cc2cc(Cc3noc4c(C#Cc5cc6cn[nH]c6cn5)ncnc34)cc(C(F)(F)F)c2)CC1.COc1ncc2c(Cc3cncc(C(C)(F)F)c3)coc2c1C#Cc1cnc2[nH]ncc2c1.Cc1cc(Cc2coc3c(C#Cc4ccc5nnnn5c4)c(Nc4cncc(C(F)(F)F)c4)ncc23)cc(C(F)(F)F)c1
• InChI: InChI=1S/C36H31F2N5O.C29H17F6N7O.C28H24F3N7O.C24H17F2N5O2/c1-36(37,38)29-17-26(16-27(18-29)22-42-14-6-3-7-15-42)19-33-32-21-40-34(28-8-4-2-5-9-28)31(35(32)44-41-33)13-11-25-10-12-30-20-39-24-43(30)23-25;1-16-6-18(9-20(7-16)28(30,31)32)8-19-15-43-26-23(4-2-17-3-5-25-39-40-41-42(25)14-17)27(37-13-24(19)26)38-22-10-21(11-36-12-22)29(33,34)35;1-17-4-6-38(7-5-17)15-19-8-18(9-21(10-19)28(29,30)31)11-24-26-27(39-37-24)23(33-16-34-26)3-2-22-12-20-13-35-36-25(20)14-32-22;1-24(25,26)18-7-15(8-27-11-18)6-17-13-33-21-19(23(32-2)29-12-20(17)21)4-3-14-5-16-10-30-31-22(16)28-9-14/h2,4-5,8-10,12,16-18,20-21,23-24H,3,6-7,14-15,19,22H2,1H3;3,5-7,9-15H,8H2,1H3,(H,37,38);8-10,12-14,16-17H,4-7,11,15H2,1H3,(H,35,36);5,7-13H,6H2,1-2H3,(H,28,30,31)
• InChIKey: JLZRLDSRRKXROY-UHFFFAOYSA-N
• XLogP: 24.10
• TPSA: 339.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.14
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine?

The IUPAC name of 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine (CID 158955892) is 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine.

What is the SMILES notation for 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine?

The canonical SMILES for 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine is CC(F)(F)c1cc(Cc2noc3c(C#Cc4ccc5cncn5c4)c(-c4ccccc4)ncc23)cc(CN2CCCCC2)c1.CC1CCN(Cc2cc(Cc3noc4c(C#Cc5cc6cn[nH]c6cn5)ncnc34)cc(C(F)(F)F)c2)CC1.COc1ncc2c(Cc3cncc(C(C)(F)F)c3)coc2c1C#Cc1cnc2[nH]ncc2c1.Cc1cc(Cc2coc3c(C#Cc4ccc5nnnn5c4)c(Nc4cncc(C(F)(F)F)c4)ncc23)cc(C(F)(F)F)c1.

What is the InChIKey of 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine?

The InChIKey is JLZRLDSRRKXROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F2N5O.C29H17F6N7O.C28H24F3N7O.C24H17F2N5O2/c1-36(37,38)29-17-26(16-27(18-29)22-42-14-6-3-7-15-42)19-33-32-21-40-34(28-8-4-2-5-9-28)31(35(32)44-41-33)13-11-25-10-12-30-20-39-24-43(30)23-25;1-16-6-18(9-20(7-16)28(30,31)32)8-19-15-43-26-23(4-2-17-3-5-25-39-40-41-42(25)14-17)27(37-13-24(19)26)38-22-10-21(11-36-12-22)29(33,34)35;1-17-4-6-38(7-5-17)15-19-8-18(9-21(10-19)28(29,30)31)11-24-26-27(39-37-24)23(33-16-34-26)3-2-22-12-20-13-35-36-25(20)14-32-22;1-24(25,26)18-7-15(8-27-11-18)6-17-13-33-21-19(23(32-2)29-12-20(17)21)4-3-14-5-16-10-30-31-22(16)28-9-14/h2,4-5,8-10,12,16-18,20-21,23-24H,3,6-7,14-15,19,22H2,1H3;3,5-7,9-15H,8H2,1H3,(H,37,38);8-10,12-14,16-17H,4-7,11,15H2,1H3,(H,35,36);5,7-13H,6H2,1-2H3,(H,28,30,31).

What are the key properties of 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine?

3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine has a molecular weight of 2158.14 g/mol, XLogP of 24.10, 18 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 158955892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).