1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide

C59H60F3N9O5 — CID 144854415

About 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide

1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (PubChem CID 144854415) has the molecular formula C59H60F3N9O5 and a molecular weight of 1032.18 g/mol. Its IUPAC name is 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
• PubChem CID: 144854415
• Molecular Formula: C59H60F3N9O5
• Molecular Weight: 1032.18 g/mol
• Exact Mass: 1031.47
• IUPAC Name: 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)CC5COc6ccc(-n7nc(C(N)=O)c8c7C(=O)N(c7ccc(C9(CN%10CCCC%10)CC9)cc7)CC87CC7)cc65)CC4)cc2)CC32CC2)cc1
• InChI: InChI=1S/C59H60F3N9O5/c1-66(32-55(19-20-55)37-5-9-40(10-6-37)69-35-58(25-26-58)47-50(54(69)74)70(65-51(47)59(60,61)62)41-13-16-43(75-2)17-14-41)30-36-31-76-45-18-15-42(29-44(36)45)71-49-46(48(64-71)52(63)72)57(23-24-57)34-68(53(49)73)39-11-7-38(8-12-39)56(21-22-56)33-67-27-3-4-28-67/h5-18,29,36H,3-4,19-28,30-35H2,1-2H3,(H2,63,72)
• InChIKey: SAUAJHASLFRCFG-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 144.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1032.18
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?

The IUPAC name of 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide (CID 144854415) is 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide.

What is the SMILES notation for 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?

The canonical SMILES for 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)CC5COc6ccc(-n7nc(C(N)=O)c8c7C(=O)N(c7ccc(C9(CN%10CCCC%10)CC9)cc7)CC87CC7)cc65)CC4)cc2)CC32CC2)cc1.

What is the InChIKey of 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?

The InChIKey is SAUAJHASLFRCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H60F3N9O5/c1-66(32-55(19-20-55)37-5-9-40(10-6-37)69-35-58(25-26-58)47-50(54(69)74)70(65-51(47)59(60,61)62)41-13-16-43(75-2)17-14-41)30-36-31-76-45-18-15-42(29-44(36)45)71-49-46(48(64-71)52(63)72)57(23-24-57)34-68(53(49)73)39-11-7-38(8-12-39)56(21-22-56)33-67-27-3-4-28-67/h5-18,29,36H,3-4,19-28,30-35H2,1-2H3,(H2,63,72).

What are the key properties of 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide?

1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide has a molecular weight of 1032.18 g/mol, XLogP of 8.84, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-6-yl]phenyl]cyclopropyl]methyl-methylamino]methyl]-2,3-dihydro-1-benzofuran-5-yl]-7-oxo-6-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]spiro[5H-pyrazolo[5,4-c]pyridine-4,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 144854415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).