2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide

C32H25F8N5O2 — CID 129129723

IUPAC2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide
SMILESCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)CNC2=O)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C32H25F8N5O2/c1-15(45-27-24(26(44-45)28(35)36)31(37,38)6-7-32(27,39)40)29(46)43-23(11-16-9-19(33)13-20(34)10-16)25-21(3-2-8-41-25)17-4-5-22-18(12-17)14-42-30(22)47/h2-5,8-10,12-13,15,23,28H,6-7,11,14H2,1H3,(H,42,47)(H,43,46)/t15?,23-/m0/s1
InChIKeyNEMNZMOLXCRLSA-GMTBNIFVSA-N
MW663.57 g/mol
LogP7.04
Rot. Bonds8

About 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide

2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide (PubChem CID 129129723) has the molecular formula C32H25F8N5O2 and a molecular weight of 663.57 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide
PubChem CID129129723
Molecular FormulaC32H25F8N5O2
Molecular Weight663.57 g/mol
Exact Mass663.19
IUPAC Name2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide
SMILESCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)CNC2=O)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C32H25F8N5O2/c1-15(45-27-24(26(44-45)28(35)36)31(37,38)6-7-32(27,39)40)29(46)43-23(11-16-9-19(33)13-20(34)10-16)25-21(3-2-8-41-25)17-4-5-22-18(12-17)14-42-30(22)47/h2-5,8-10,12-13,15,23,28H,6-7,11,14H2,1H3,(H,42,47)(H,43,46)/t15?,23-/m0/s1
InChIKeyNEMNZMOLXCRLSA-GMTBNIFVSA-N
XLogP7.04
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.57
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide?
The IUPAC name of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide (CID 129129723) is 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide?
The canonical SMILES for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide is CC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)CNC2=O)n1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide?
The InChIKey is NEMNZMOLXCRLSA-GMTBNIFVSA-N. The full InChI is InChI=1S/C32H25F8N5O2/c1-15(45-27-24(26(44-45)28(35)36)31(37,38)6-7-32(27,39)40)29(46)43-23(11-16-9-19(33)13-20(34)10-16)25-21(3-2-8-41-25)17-4-5-22-18(12-17)14-42-30(22)47/h2-5,8-10,12-13,15,23,28H,6-7,11,14H2,1H3,(H,42,47)(H,43,46)/t15?,23-/m0/s1.
What are the key properties of 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide?
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide has a molecular weight of 663.57 g/mol, XLogP of 7.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-pyridinyl]ethyl]propanamide is sourced from PubChem (CID 129129723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).