N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide

C34H27F8N5O5 — CID 170408091

IUPACN-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
SMILESCCOc1c(CC(N)=O)cc([C@@](O)(CNC(=O)c2cc(OC)c3nn(C(F)F)cc3c2)c2cccc(F)c2)nc1-c1cc(C(F)(F)F)c(F)cc1F
InChIInChI=1S/C34H27F8N5O5/c1-3-52-30-16(10-27(43)48)9-26(45-29(30)21-12-22(34(40,41)42)24(37)13-23(21)36)33(50,19-5-4-6-20(35)11-19)15-44-31(49)17-7-18-14-47(32(38)39)46-28(18)25(8-17)51-2/h4-9,11-14,32,50H,3,10,15H2,1-2H3,(H2,43,48)(H,44,49)/t33-/m1/s1
InChIKeyYVZHZYSBBROQKG-MGBGTMOVSA-N
MW737.60 g/mol
LogP6.03
Rot. Bonds12

About N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide

N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide (PubChem CID 170408091) has the molecular formula C34H27F8N5O5 and a molecular weight of 737.60 g/mol. Its IUPAC name is N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
PubChem CID170408091
Molecular FormulaC34H27F8N5O5
Molecular Weight737.60 g/mol
Exact Mass737.19
IUPAC NameN-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide
SMILESCCOc1c(CC(N)=O)cc([C@@](O)(CNC(=O)c2cc(OC)c3nn(C(F)F)cc3c2)c2cccc(F)c2)nc1-c1cc(C(F)(F)F)c(F)cc1F
InChIInChI=1S/C34H27F8N5O5/c1-3-52-30-16(10-27(43)48)9-26(45-29(30)21-12-22(34(40,41)42)24(37)13-23(21)36)33(50,19-5-4-6-20(35)11-19)15-44-31(49)17-7-18-14-47(32(38)39)46-28(18)25(8-17)51-2/h4-9,11-14,32,50H,3,10,15H2,1-2H3,(H2,43,48)(H,44,49)/t33-/m1/s1
InChIKeyYVZHZYSBBROQKG-MGBGTMOVSA-N
XLogP6.03
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.60
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170408044
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(2-chloro-3-fluorophenyl)-5-ethoxy-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carboxamide
CID 170408329
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-5-ethoxy-6-(2,4,5-trifluorophenyl)-2-pyridinyl]-2-hydroxy-2-thiophen-3-ylethyl]-2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carboxamide
CID 170407152
(3R)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-7-(2,4,5-trifluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407114
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(5-chloro-2,4-difluorophenyl)-5-ethoxy-2-pyridinyl]-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170408807
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(2-chloro-3-cyanophenyl)-5-ethoxy-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carboxamide
CID 170408384
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(5-chloro-2,4-difluorophenyl)-5-ethoxy-2-pyridinyl]-2-hydroxy-2-thiophen-2-ylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170408572
(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406855
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(5-chloro-2,4-difluorophenyl)-5-ethoxy-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-cyclopropyl-4-(difluoromethoxy)-1,3-benzoxazole-6-carboxamide
CID 170407322
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(5-chloro-2,4-difluorophenyl)-5-ethoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-7-cyclopropyloxy-2-(1-fluorocyclopropyl)indazole-5-carboxamide
CID 170405765
N-[(2S)-2-[6-(5-chloro-2,4-difluorophenyl)-5-fluoro-4-(2-fluoropropan-2-yl)-2-pyridinyl]-2-hydroxy-2-phenylethyl]-2-cyclopropyl-7-methoxyindazole-5-carboxamide
CID 170378276
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-(5-chloro-2,4-difluorophenyl)-5-ethoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-2-cyclopropyl-7-cyclopropyloxyindazole-5-carboxamide
CID 170405725

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide (CID 170408091) is N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide is CCOc1c(CC(N)=O)cc([C@@](O)(CNC(=O)c2cc(OC)c3nn(C(F)F)cc3c2)c2cccc(F)c2)nc1-c1cc(C(F)(F)F)c(F)cc1F.
What is the InChIKey of N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
The InChIKey is YVZHZYSBBROQKG-MGBGTMOVSA-N. The full InChI is InChI=1S/C34H27F8N5O5/c1-3-52-30-16(10-27(43)48)9-26(45-29(30)21-12-22(34(40,41)42)24(37)13-23(21)36)33(50,19-5-4-6-20(35)11-19)15-44-31(49)17-7-18-14-47(32(38)39)46-28(18)25(8-17)51-2/h4-9,11-14,32,50H,3,10,15H2,1-2H3,(H2,43,48)(H,44,49)/t33-/m1/s1.
What are the key properties of N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide?
N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide has a molecular weight of 737.60 g/mol, XLogP of 6.03, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(2-amino-2-oxoethyl)-6-[2,4-difluoro-5-(trifluoromethyl)phenyl]-5-ethoxy-2-pyridinyl]-2-(3-fluorophenyl)-2-hydroxyethyl]-2-(difluoromethyl)-7-methoxyindazole-5-carboxamide is sourced from PubChem (CID 170408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).