4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C77H73F7N14O5 — CID 158015518

IUPAC4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1.Cn1ncc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21.O=c1cc(-c2ccc(OC(F)(F)F)cc2F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H25F3N4O2.C26H26N6O.C25H22F4N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31;1-29-24-6-4-19(14-21(24)17-27-29)20-8-11-31(26(33)16-20)23-5-7-25-22(15-23)18-28-32(25)13-12-30-9-2-3-10-30;26-22-15-20(35-25(27,28)29)4-5-21(22)17-7-10-32(24(34)14-17)19-3-6-23-18(13-19)16-30-33(23)12-11-31-8-1-2-9-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3;4-8,11,14-18H,2-3,9-10,12-13H2,1H3;3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyFFKKAHPBEJEYSQ-UHFFFAOYSA-N
MW1407.51 g/mol
LogP13.98
Rot. Bonds17

About 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 158015518) has the molecular formula C77H73F7N14O5 and a molecular weight of 1407.51 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID158015518
Molecular FormulaC77H73F7N14O5
Molecular Weight1407.51 g/mol
Exact Mass1406.58
IUPAC Name4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1.Cn1ncc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21.O=c1cc(-c2ccc(OC(F)(F)F)cc2F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C26H25F3N4O2.C26H26N6O.C25H22F4N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31;1-29-24-6-4-19(14-21(24)17-27-29)20-8-11-31(26(33)16-20)23-5-7-25-22(15-23)18-28-32(25)13-12-30-9-2-3-10-30;26-22-15-20(35-25(27,28)29)4-5-21(22)17-7-10-32(24(34)14-17)19-3-6-23-18(13-19)16-30-33(23)12-11-31-8-1-2-9-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3;4-8,11,14-18H,2-3,9-10,12-13H2,1H3;3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyFFKKAHPBEJEYSQ-UHFFFAOYSA-N
XLogP13.98
TPSA165.46 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001407.51
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one with MolForge

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Related Compounds

4-(2-methyl-4-(trifluoromethoxy)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206612
4-[2-Fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25206450
4-[4-Butoxy-2-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 57625516
(5Z)-3-{2-[(3R)-3-Fluoropyrrolidin-1-yl]ethyl}-5-[(1-{[4-(methyloxy)-2-(trifluoro-methyl)phenyl]methyl}-1H-indazol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 58530405
4-[2-Fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 66719191
4-[2-Methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 66719503
3-[2-(3-Fluoropyrrolidin-1-yl)ethyl]-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 76814378
3-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-[[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123489785
4-(4-Methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-naphthalen-1-yl-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 157590077
4-(1-Adamantylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(cyclopentylmethoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[3-methyl-1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-phenylmethoxypyridin-2-one;4-phenylmethoxy-1-[1-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)indazol-5-yl]pyridin-2-one
CID 157829812
4-[4-Butoxy-2-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 157962489
4-(4-Chloro-2-fluorophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 158170923

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 158015518) is 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cc1cc(OC(F)(F)F)ccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1.Cn1ncc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21.O=c1cc(-c2ccc(OC(F)(F)F)cc2F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is FFKKAHPBEJEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2.C26H26N6O.C25H22F4N4O2/c1-18-14-22(35-26(27,28)29)5-6-23(18)19-8-11-32(25(34)16-19)21-4-7-24-20(15-21)17-30-33(24)13-12-31-9-2-3-10-31;1-29-24-6-4-19(14-21(24)17-27-29)20-8-11-31(26(33)16-20)23-5-7-25-22(15-23)18-28-32(25)13-12-30-9-2-3-10-30;26-22-15-20(35-25(27,28)29)4-5-21(22)17-7-10-32(24(34)14-17)19-3-6-23-18(13-19)16-30-33(23)12-11-31-8-1-2-9-31/h4-8,11,14-17H,2-3,9-10,12-13H2,1H3;4-8,11,14-18H,2-3,9-10,12-13H2,1H3;3-7,10,13-16H,1-2,8-9,11-12H2.
What are the key properties of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 1407.51 g/mol, XLogP of 13.98, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(1-methylindazol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-methyl-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 158015518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).