4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C82H86F6N12O5 — CID 159495335

IUPAC4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCC(C)Oc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.CCCCOc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C29H34N4O2.C27H30N4O2.C26H22F6N4O/c1-3-4-17-35-26-8-9-27(22(2)18-26)23-11-14-32(29(34)20-23)25-7-10-28-24(19-25)21-30-33(28)16-15-31-12-5-6-13-31;1-20(2)33-25-8-5-21(6-9-25)22-11-14-30(27(32)18-22)24-7-10-26-23(17-24)19-28-31(26)16-15-29-12-3-4-13-29;27-25(28,29)19-3-5-21(22(15-19)26(30,31)32)17-7-10-35(24(37)14-17)20-4-6-23-18(13-20)16-33-36(23)12-11-34-8-1-2-9-34/h7-11,14,18-21H,3-6,12-13,15-17H2,1-2H3;5-11,14,17-20H,3-4,12-13,15-16H2,1-2H3;3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyLYSCDMDBHLDDFY-UHFFFAOYSA-N
MW1433.66 g/mol
LogP16.16
Rot. Bonds21

About 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 159495335) has the molecular formula C82H86F6N12O5 and a molecular weight of 1433.66 g/mol. Its IUPAC name is 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID159495335
Molecular FormulaC82H86F6N12O5
Molecular Weight1433.66 g/mol
Exact Mass1432.67
IUPAC Name4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCC(C)Oc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.CCCCOc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C29H34N4O2.C27H30N4O2.C26H22F6N4O/c1-3-4-17-35-26-8-9-27(22(2)18-26)23-11-14-32(29(34)20-23)25-7-10-28-24(19-25)21-30-33(28)16-15-31-12-5-6-13-31;1-20(2)33-25-8-5-21(6-9-25)22-11-14-30(27(32)18-22)24-7-10-26-23(17-24)19-28-31(26)16-15-29-12-3-4-13-29;27-25(28,29)19-3-5-21(22(15-19)26(30,31)32)17-7-10-35(24(37)14-17)20-4-6-23-18(13-20)16-33-36(23)12-11-34-8-1-2-9-34/h7-11,14,18-21H,3-6,12-13,15-17H2,1-2H3;5-11,14,17-20H,3-4,12-13,15-16H2,1-2H3;3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyLYSCDMDBHLDDFY-UHFFFAOYSA-N
XLogP16.16
TPSA147.64 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.66
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one with MolForge

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Related Compounds

4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 87122633
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 159614328
4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25205665
4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 25205153
4-(2-chloro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-ethoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 157156254
4-(2-chloro-4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 158663168
1-[1-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 162337660
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719398
4-naphthalen-2-yl-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 66719155
4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 66719109
4-(4-isocyanophenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;hydrochloride
CID 158339669
1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206137

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 159495335) is 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is CC(C)Oc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.CCCCOc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c(C)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is LYSCDMDBHLDDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2.C27H30N4O2.C26H22F6N4O/c1-3-4-17-35-26-8-9-27(22(2)18-26)23-11-14-32(29(34)20-23)25-7-10-28-24(19-25)21-30-33(28)16-15-31-12-5-6-13-31;1-20(2)33-25-8-5-21(6-9-25)22-11-14-30(27(32)18-22)24-7-10-26-23(17-24)19-28-31(26)16-15-29-12-3-4-13-29;27-25(28,29)19-3-5-21(22(15-19)26(30,31)32)17-7-10-35(24(37)14-17)20-4-6-23-18(13-20)16-33-36(23)12-11-34-8-1-2-9-34/h7-11,14,18-21H,3-6,12-13,15-17H2,1-2H3;5-11,14,17-20H,3-4,12-13,15-16H2,1-2H3;3-7,10,13-16H,1-2,8-9,11-12H2.
What are the key properties of 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 1433.66 g/mol, XLogP of 16.16, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-butoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-propan-2-yloxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 159495335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).