N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide

C27H20ClF2N5O — CID 135215852

IUPACN-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)N[C@@H](Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClF2N5O/c28-18-7-5-17(6-8-18)26-27(32-10-9-31-26)24(13-16-11-19(29)14-20(30)12-16)33-25(36)15-23-21-3-1-2-4-22(21)34-35-23/h1-12,14,24H,13,15H2,(H,33,36)(H,34,35)/t24-/m0/s1
InChIKeyNTFIHWUVQJMEJJ-DEOSSOPVSA-N
MW503.94 g/mol
LogP5.59
Rot. Bonds7

About N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide

N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide (PubChem CID 135215852) has the molecular formula C27H20ClF2N5O and a molecular weight of 503.94 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide
PubChem CID135215852
Molecular FormulaC27H20ClF2N5O
Molecular Weight503.94 g/mol
Exact Mass503.13
IUPAC NameN-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)N[C@@H](Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClF2N5O/c28-18-7-5-17(6-8-18)26-27(32-10-9-31-26)24(13-16-11-19(29)14-20(30)12-16)33-25(36)15-23-21-3-1-2-4-22(21)34-35-23/h1-12,14,24H,13,15H2,(H,33,36)(H,34,35)/t24-/m0/s1
InChIKeyNTFIHWUVQJMEJJ-DEOSSOPVSA-N
XLogP5.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.94
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-difluorophenyl)-1-(2H-indazol-3-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
CID 158467023
N-[2-(3,5-difluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-2H-indazol-3-yl)acetamide
CID 135215711
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186771
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71185371
N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide
CID 144505155
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
4-fluoro-3-[[2-(2H-indazol-3-yl)acetyl]amino]benzoic acid
CID 75497770
5-[2-[(1S)-1-[(2-benzo[g]indol-1-ylacetyl)amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186993
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 129129523
2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
N-tert-butyl-5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71185048

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide (CID 135215852) is N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide is O=C(Cc1[nH]nc2ccccc12)N[C@@H](Cc1cc(F)cc(F)c1)c1nccnc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide?
The InChIKey is NTFIHWUVQJMEJJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H20ClF2N5O/c28-18-7-5-17(6-8-18)26-27(32-10-9-31-26)24(13-16-11-19(29)14-20(30)12-16)33-25(36)15-23-21-3-1-2-4-22(21)34-35-23/h1-12,14,24H,13,15H2,(H,33,36)(H,34,35)/t24-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide?
N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide has a molecular weight of 503.94 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-chlorophenyl)pyrazin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 135215852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).