3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one

C47H44F2N10O5 — CID 176644970

About 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one

3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 176644970) has the molecular formula C47H44F2N10O5 and a molecular weight of 866.93 g/mol. Its IUPAC name is 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 176644970
• Molecular Formula: C47H44F2N10O5
• Molecular Weight: 866.93 g/mol
• Exact Mass: 866.35
• IUPAC Name: 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C5CC5)c4F)c2=O)[C@H](C)N(C(=O)c2cn4cc(C5CCOCC5)ccc4c2C2(c4noc(=O)[nH]4)CC2)CC3)cc(C)c1F
• InChI: InChI=1S/C47H44F2N10O5/c1-25-20-31(21-26(2)40(25)48)59-42(57-17-16-56(46(57)62)37-9-8-35-32(41(37)49)22-50-58(35)30-5-6-30)38-27(3)55(15-10-34(38)52-59)43(60)33-24-54-23-29(28-11-18-63-19-12-28)4-7-36(54)39(33)47(13-14-47)44-51-45(61)64-53-44/h4,7-9,16-17,20-24,27-28,30H,5-6,10-15,18-19H2,1-3H3,(H,51,53,61)/t27-/m0/s1
• InChIKey: GSYRWCQXXNUDFT-MHZLTWQESA-N
• XLogP: 7.06
• TPSA: 155.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	866.93
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one (CID 176644970) is 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one is Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc5c(cnn5C5CC5)c4F)c2=O)[C@H](C)N(C(=O)c2cn4cc(C5CCOCC5)ccc4c2C2(c4noc(=O)[nH]4)CC2)CC3)cc(C)c1F.

What is the InChIKey of 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is GSYRWCQXXNUDFT-MHZLTWQESA-N. The full InChI is InChI=1S/C47H44F2N10O5/c1-25-20-31(21-26(2)40(25)48)59-42(57-17-16-56(46(57)62)37-9-8-35-32(41(37)49)22-50-58(35)30-5-6-30)38-27(3)55(15-10-34(38)52-59)43(60)33-24-54-23-29(28-11-18-63-19-12-28)4-7-36(54)39(33)47(13-14-47)44-51-45(61)64-53-44/h4,7-9,16-17,20-24,27-28,30H,5-6,10-15,18-19H2,1-3H3,(H,51,53,61)/t27-/m0/s1.

What are the key properties of 3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one?

3-[1-[2-[(4S)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 866.93 g/mol, XLogP of 7.06, 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)-3-[3-(1-cyclopropyl-4-fluoroindazol-5-yl)-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-6-(oxan-4-yl)indolizin-1-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 176644970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).