1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C75H69F9N12O6 — CID 161066346

IUPAC1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCOCC2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
InChIInChI=1S/3C25H23F3N4O2/c2*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)21-3-1-18(2-4-21)19-7-8-31(24(33)16-19)22-5-6-23-20(15-22)17-29-32(23)10-9-30-11-13-34-14-12-30/h2*1-7,10,13-15,22,33H,8-9,11-12,16H2;1-8,15-17H,9-14H2/t2*22-;/m10./s1
InChIKeyUEBMZFODVCDVNI-UNDSNRBDSA-N
MW1405.44 g/mol
LogP12.08
Rot. Bonds15

About 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 161066346) has the molecular formula C75H69F9N12O6 and a molecular weight of 1405.44 g/mol. Its IUPAC name is 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID161066346
Molecular FormulaC75H69F9N12O6
Molecular Weight1405.44 g/mol
Exact Mass1404.53
IUPAC Name1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCOCC2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1
InChIInChI=1S/3C25H23F3N4O2/c2*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)21-3-1-18(2-4-21)19-7-8-31(24(33)16-19)22-5-6-23-20(15-22)17-29-32(23)10-9-30-11-13-34-14-12-30/h2*1-7,10,13-15,22,33H,8-9,11-12,16H2;1-8,15-17H,9-14H2/t2*22-;/m10./s1
InChIKeyUEBMZFODVCDVNI-UNDSNRBDSA-N
XLogP12.08
TPSA178.87 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.44
LogP ≤ 512.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one with MolForge

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Related Compounds

1-(1-(2-Morpholinoethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 25205831
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25205984
1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206136
1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206296
1-[1-[2-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206297
1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 57625528
1-[1-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719122
1-[1-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 66719123
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719398
1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719476
1-[1-[2-(3-Hydroxypyrrolidin-1-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719477
1-[1-[2-(2-Oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 77175734

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 161066346) is 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCOCC2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1.
What is the InChIKey of 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is UEBMZFODVCDVNI-UNDSNRBDSA-N. The full InChI is InChI=1S/3C25H23F3N4O2/c2*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)21-3-1-18(2-4-21)19-7-8-31(24(33)16-19)22-5-6-23-20(15-22)17-29-32(23)10-9-30-11-13-34-14-12-30/h2*1-7,10,13-15,22,33H,8-9,11-12,16H2;1-8,15-17H,9-14H2/t2*22-;/m10./s1.
What are the key properties of 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 1405.44 g/mol, XLogP of 12.08, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 161066346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).