1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C78H73F9N12O6 — CID 160837481

IUPAC1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2C[C@@H](O)CN2CCCC2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2C[C@H](O)CN2CCCC2)c1
InChIInChI=1S/C26H23F3N4O2.2C26H25F3N4O2/c27-26(28,29)20-3-1-17(2-4-20)18-7-8-32(25(34)12-18)21-5-6-24-19(11-21)14-30-33(24)10-9-31-15-23-13-22(31)16-35-23;2*27-26(28,29)21-5-3-18(4-6-21)19-9-12-32(25(35)14-19)22-7-8-24-20(13-22)15-30-33(24)17-23(34)16-31-10-1-2-11-31/h1-8,11-12,14,22-23H,9-10,13,15-16H2;2*3-9,12-15,23,34H,1-2,10-11,16-17H2/t;2*23-/m.10/s1
InChIKeySHPBPMMMTLVISA-PTBKYJLMSA-N
MW1445.50 g/mol
LogP13.01
Rot. Bonds17

About 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 160837481) has the molecular formula C78H73F9N12O6 and a molecular weight of 1445.50 g/mol. Its IUPAC name is 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID160837481
Molecular FormulaC78H73F9N12O6
Molecular Weight1445.50 g/mol
Exact Mass1444.56
IUPAC Name1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2C[C@@H](O)CN2CCCC2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2C[C@H](O)CN2CCCC2)c1
InChIInChI=1S/C26H23F3N4O2.2C26H25F3N4O2/c27-26(28,29)20-3-1-17(2-4-20)18-7-8-32(25(34)12-18)21-5-6-24-19(11-21)14-30-33(24)10-9-31-15-23-13-22(31)16-35-23;2*27-26(28,29)21-5-3-18(4-6-21)19-9-12-32(25(35)14-19)22-7-8-24-20(13-22)15-30-33(24)17-23(34)16-31-10-1-2-11-31/h1-8,11-12,14,22-23H,9-10,13,15-16H2;2*3-9,12-15,23,34H,1-2,10-11,16-17H2/t;2*23-/m.10/s1
InChIKeySHPBPMMMTLVISA-PTBKYJLMSA-N
XLogP13.01
TPSA178.87 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.50
LogP ≤ 513.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one with MolForge

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Related Compounds

1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25205980
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206132
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-[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-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719545
1-[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 66719546
1-[1-[2-[2-(Hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 66719547
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;hydrochloride
CID 69053053
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
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-(4-methylphenyl)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
CID 157456539
4-(4-Chloro-2-fluorophenyl)-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;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 157563242

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;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 160837481) is 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CC3CC2CO3)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2C[C@@H](O)CN2CCCC2)c1.O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2C[C@H](O)CN2CCCC2)c1.
What is the InChIKey of 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is SHPBPMMMTLVISA-PTBKYJLMSA-N. The full InChI is InChI=1S/C26H23F3N4O2.2C26H25F3N4O2/c27-26(28,29)20-3-1-17(2-4-20)18-7-8-32(25(34)12-18)21-5-6-24-19(11-21)14-30-33(24)10-9-31-15-23-13-22(31)16-35-23;2*27-26(28,29)21-5-3-18(4-6-21)19-9-12-32(25(35)14-19)22-7-8-24-20(13-22)15-30-33(24)17-23(34)16-31-10-1-2-11-31/h1-8,11-12,14,22-23H,9-10,13,15-16H2;2*3-9,12-15,23,34H,1-2,10-11,16-17H2/t;2*23-/m.10/s1.
What are the key properties of 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?
1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 1445.50 g/mol, XLogP of 13.01, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-[1-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 160837481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).