ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate

C32H37ClFN5O3 — CID 164945893

IUPACethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
SMILESCCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(C)cc(-c3ccc(C4CCN(CCOC)CC4)cc3)c(Cl)c2n1
InChIInChI=1S/C32H37ClFN5O3/c1-4-42-32(40)31(30-27-16-24(34)17-38(27)19-35-30)39-18-26-20(2)15-25(28(33)29(26)36-39)23-7-5-21(6-8-23)22-9-11-37(12-10-22)13-14-41-3/h5-8,15,18-19,22,24,31H,4,9-14,16-17H2,1-3H3/t24-,31?/m1/s1
InChIKeyYHUOZEGBQFVCJM-LZDHLTRGSA-N
MW594.13 g/mol
LogP5.73
Rot. Bonds9

About ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate

ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate (PubChem CID 164945893) has the molecular formula C32H37ClFN5O3 and a molecular weight of 594.13 g/mol. Its IUPAC name is ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
PubChem CID164945893
Molecular FormulaC32H37ClFN5O3
Molecular Weight594.13 g/mol
Exact Mass593.26
IUPAC Nameethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
SMILESCCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(C)cc(-c3ccc(C4CCN(CCOC)CC4)cc3)c(Cl)c2n1
InChIInChI=1S/C32H37ClFN5O3/c1-4-42-32(40)31(30-27-16-24(34)17-38(27)19-35-30)39-18-26-20(2)15-25(28(33)29(26)36-39)23-7-5-21(6-8-23)22-9-11-37(12-10-22)13-14-41-3/h5-8,15,18-19,22,24,31H,4,9-14,16-17H2,1-3H3/t24-,31?/m1/s1
InChIKeyYHUOZEGBQFVCJM-LZDHLTRGSA-N
XLogP5.73
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.13
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[7-chloro-6-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 164945954
ethyl 2-[6-[4-[(3aS,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155413083
ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155413977
ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 164945890
ethyl 2-(6-bromo-4,7-dimethylindazol-2-yl)-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155414220
ethyl 2-[4,7-dichloro-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155414594
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
2-[4,7-dichloro-6-[4-(1-ethylpiperidin-4-yl)phenyl]indazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetic acid
CID 155413961
2-[4,7-dichloro-6-[4-(1-ethylazetidin-3-yl)phenyl]indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155414401
ethyl 2-[4-(difluoromethyl)-6-[4-[1-(2-fluoropropyl)piperidin-4-yl]phenyl]-7-methylindazol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 174168350
2-[4,7-dichloro-6-[4-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155414124
2-[4-[4,7-dichloro-2-[1-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]indazol-6-yl]phenyl]ethyl N-(2-methoxyethyl)carbamate
CID 155414404

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate (CID 164945893) is ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate is CCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(C)cc(-c3ccc(C4CCN(CCOC)CC4)cc3)c(Cl)c2n1.
What is the InChIKey of ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?
The InChIKey is YHUOZEGBQFVCJM-LZDHLTRGSA-N. The full InChI is InChI=1S/C32H37ClFN5O3/c1-4-42-32(40)31(30-27-16-24(34)17-38(27)19-35-30)39-18-26-20(2)15-25(28(33)29(26)36-39)23-7-5-21(6-8-23)22-9-11-37(12-10-22)13-14-41-3/h5-8,15,18-19,22,24,31H,4,9-14,16-17H2,1-3H3/t24-,31?/m1/s1.
What are the key properties of ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?
ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate has a molecular weight of 594.13 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate is sourced from PubChem (CID 164945893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).