3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one

C50H48F2N10O5 — CID 176798304

About 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one

3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 176798304) has the molecular formula C50H48F2N10O5 and a molecular weight of 906.99 g/mol. Its IUPAC name is 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 176798304
• Molecular Formula: C50H48F2N10O5
• Molecular Weight: 906.99 g/mol
• Exact Mass: 906.38
• IUPAC Name: 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: C[C@H]1c2c(nn(-c3ccc(F)c(C4CC4)c3)c2-n2ccn(-c3ccc4c(cnn4C)c3F)c2=O)C2(CC2)CN1C(=O)c1cc2cc(C3CCOC(C)(C)C3)ccn2c1C1(c2noc(=O)[nH]2)CC1
• InChI: InChI=1S/C50H48F2N10O5/c1-27-39-41(55-62(31-7-8-36(51)33(22-31)28-5-6-28)43(39)60-19-18-59(47(60)65)38-10-9-37-35(40(38)52)25-53-57(37)4)49(13-14-49)26-61(27)44(63)34-23-32-21-29(30-12-20-66-48(2,3)24-30)11-17-58(32)42(34)50(15-16-50)45-54-46(64)67-56-45/h7-11,17-19,21-23,25,27-28,30H,5-6,12-16,20,24,26H2,1-4H3,(H,54,56,64)/t27-,30?/m0/s1
• InChIKey: VOQCVWXOKQBHAX-CEBUJLNPSA-N
• XLogP: 7.79
• TPSA: 155.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	906.99
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one (CID 176798304) is 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one is C[C@H]1c2c(nn(-c3ccc(F)c(C4CC4)c3)c2-n2ccn(-c3ccc4c(cnn4C)c3F)c2=O)C2(CC2)CN1C(=O)c1cc2cc(C3CCOC(C)(C)C3)ccn2c1C1(c2noc(=O)[nH]2)CC1.

What is the InChIKey of 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is VOQCVWXOKQBHAX-CEBUJLNPSA-N. The full InChI is InChI=1S/C50H48F2N10O5/c1-27-39-41(55-62(31-7-8-36(51)33(22-31)28-5-6-28)43(39)60-19-18-59(47(60)65)38-10-9-37-35(40(38)52)25-53-57(37)4)49(13-14-49)26-61(27)44(63)34-23-32-21-29(30-12-20-66-48(2,3)24-30)11-17-58(32)42(34)50(15-16-50)45-54-46(64)67-56-45/h7-11,17-19,21-23,25,27-28,30H,5-6,12-16,20,24,26H2,1-4H3,(H,54,56,64)/t27-,30?/m0/s1.

What are the key properties of 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 906.99 g/mol, XLogP of 7.79, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methylspiro[4,6-dihydropyrazolo[4,3-c]pyridine-7,1'-cyclopropane]-5-carbonyl]-7-(2,2-dimethyloxan-4-yl)indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 176798304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).