1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C76H74F6N12O6 — CID 161171007

About 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one

1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 161171007) has the molecular formula C76H74F6N12O6 and a molecular weight of 1365.49 g/mol. Its IUPAC name is 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
• PubChem CID: 161171007
• Molecular Formula: C76H74F6N12O6
• Molecular Weight: 1365.49 g/mol
• Exact Mass: 1364.58
• IUPAC Name: 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
• SMILES: COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1.O=c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
• InChI: InChI=1S/C26H28N4O2.2C25H23F3N4O2/c1-19-15-23(32-2)6-7-24(19)20-9-12-29(26(31)17-20)22-5-8-25-21(16-22)18-27-30(25)14-13-28-10-3-4-11-28;26-25(27,28)20-3-1-17(2-4-20)18-7-10-31(24(34)14-18)21-5-6-23-19(13-21)15-29-32(23)12-11-30-9-8-22(33)16-30;26-25(27,28)34-22-6-3-18(4-7-22)19-9-12-31(24(33)16-19)21-5-8-23-20(15-21)17-29-32(23)14-13-30-10-1-2-11-30/h5-9,12,15-18H,3-4,10-11,13-14H2,1-2H3;1-7,10,13-15,22,33H,8-9,11-12,16H2;3-9,12,15-17H,1-2,10-11,13-14H2/t;22-;/m.0./s1
• InChIKey: UREDOPFFDDXUMR-UPVGPBOESA-N
• XLogP: 13.06
• TPSA: 167.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.49
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?

The IUPAC name of 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 161171007) is 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

What is the SMILES notation for 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?

The canonical SMILES for 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one is COc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1.O=c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.

What is the InChIKey of 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?

The InChIKey is UREDOPFFDDXUMR-UPVGPBOESA-N. The full InChI is InChI=1S/C26H28N4O2.2C25H23F3N4O2/c1-19-15-23(32-2)6-7-24(19)20-9-12-29(26(31)17-20)22-5-8-25-21(16-22)18-27-30(25)14-13-28-10-3-4-11-28;26-25(27,28)20-3-1-17(2-4-20)18-7-10-31(24(34)14-18)21-5-6-23-19(13-21)15-29-32(23)12-11-30-9-8-22(33)16-30;26-25(27,28)34-22-6-3-18(4-7-22)19-9-12-31(24(33)16-19)21-5-8-23-20(15-21)17-29-32(23)14-13-30-10-1-2-11-30/h5-9,12,15-18H,3-4,10-11,13-14H2,1-2H3;1-7,10,13-15,22,33H,8-9,11-12,16H2;3-9,12,15-17H,1-2,10-11,13-14H2/t;22-;/m.0./s1.

What are the key properties of 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one?

1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 1365.49 g/mol, XLogP of 13.06, 17 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 161171007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).