ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate

C27H26ClF2N5O3 — CID 155412962

IUPACethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
SMILESCCOC(=O)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)c(F)c3)c(F)c2n1
InChIInChI=1S/C27H26ClF2N5O3/c1-2-38-27(36)26(25-22-4-3-7-34(22)15-31-25)35-14-18-19(28)13-17(23(30)24(18)32-35)16-5-6-21(20(29)12-16)33-8-10-37-11-9-33/h5-6,12-15,26H,2-4,7-11H2,1H3
InChIKeyJIHNFKNNUQRSJD-UHFFFAOYSA-N
MW541.99 g/mol
LogP4.77
Rot. Bonds6

About ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate

ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate (PubChem CID 155412962) has the molecular formula C27H26ClF2N5O3 and a molecular weight of 541.99 g/mol. Its IUPAC name is ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
PubChem CID155412962
Molecular FormulaC27H26ClF2N5O3
Molecular Weight541.99 g/mol
Exact Mass541.17
IUPAC Nameethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
SMILESCCOC(=O)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)c(F)c3)c(F)c2n1
InChIInChI=1S/C27H26ClF2N5O3/c1-2-38-27(36)26(25-22-4-3-7-34(22)15-31-25)35-14-18-19(28)13-17(23(30)24(18)32-35)16-5-6-21(20(29)12-16)33-8-10-37-11-9-33/h5-6,12-15,26H,2-4,7-11H2,1H3
InChIKeyJIHNFKNNUQRSJD-UHFFFAOYSA-N
XLogP4.77
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.99
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate 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

ethyl 2-[6-[4-[(3R,4R)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155412764
ethyl (2R)-2-[6-[4-[(3R,4R)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4,7-dimethylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155412765
ethyl 2-[7-chloro-6-[4-[(3R,4R)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6S)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155412855
ethyl 2-[7-chloro-6-[4-[(3R,4R)-1-ethyl-3-fluoropiperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155412856
ethyl 2-[4,7-dichloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155412869
ethyl 2-[7-chloro-4-methyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155412968
ethyl 2-[7-chloro-4-methyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155412972
2-[4,7-dichloro-6-[4-[(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetic acid
CID 155413000
2-[4,7-dichloro-6-[4-[(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
CID 155413002
ethyl 2-[4-chloro-7-methoxy-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155413003
ethyl 2-(6-bromo-4-chloro-7-fluoroindazol-2-yl)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155413038
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-[4-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]acetate
CID 155413042

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
The IUPAC name of ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate (CID 155412962) is ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate is CCOC(=O)C(c1ncn2c1CCC2)n1cc2c(Cl)cc(-c3ccc(N4CCOCC4)c(F)c3)c(F)c2n1.
What is the InChIKey of ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
The InChIKey is JIHNFKNNUQRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClF2N5O3/c1-2-38-27(36)26(25-22-4-3-7-34(22)15-31-25)35-14-18-19(28)13-17(23(30)24(18)32-35)16-5-6-21(20(29)12-16)33-8-10-37-11-9-33/h5-6,12-15,26H,2-4,7-11H2,1H3.
What are the key properties of ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate?
ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate has a molecular weight of 541.99 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-7-fluoro-6-(3-fluoro-4-morpholin-4-ylphenyl)indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate is sourced from PubChem (CID 155412962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).