5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide

C23H26ClN3O4 — CID 163382456

IUPAC5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide
SMILESCOc1ncc(Cl)c(C(=O)Nc2cccc3c2C(=O)N([C@@H](C2CC2)C(C)(C)O)C3)c1C
InChIInChI=1S/C23H26ClN3O4/c1-12-17(15(24)10-25-21(12)31-4)20(28)26-16-7-5-6-14-11-27(22(29)18(14)16)19(13-8-9-13)23(2,3)30/h5-7,10,13,19,30H,8-9,11H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeyLSWDTRPHTQSKMK-IBGZPJMESA-N
MW443.93 g/mol
LogP3.81
Rot. Bonds6

About 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide

5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide (PubChem CID 163382456) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide
PubChem CID163382456
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide
SMILESCOc1ncc(Cl)c(C(=O)Nc2cccc3c2C(=O)N([C@@H](C2CC2)C(C)(C)O)C3)c1C
InChIInChI=1S/C23H26ClN3O4/c1-12-17(15(24)10-25-21(12)31-4)20(28)26-16-7-5-6-14-11-27(22(29)18(14)16)19(13-8-9-13)23(2,3)30/h5-7,10,13,19,30H,8-9,11H2,1-4H3,(H,26,28)/t19-/m0/s1
InChIKeyLSWDTRPHTQSKMK-IBGZPJMESA-N
XLogP3.81
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-3-oxo-1H-isoindol-4-yl]-2,3-difluoro-6-methoxybenzamide
CID 163382337
2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide
CID 163382235
N-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-6-fluoro-3-oxo-1H-isoindol-4-yl]-2-methylindazole-4-carboxamide
CID 163382233
N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
CID 163382322
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-7-[2-fluoro-3-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-isoindol-1-one
CID 163381890
2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-7-[1-methyl-3-(trifluoromethyl)indazol-5-yl]-3H-isoindol-1-one
CID 163381891
7-[1-(2-ethoxyphenyl)ethenylamino]-2-(3-hydroxy-3-methylbutan-2-yl)-3H-isoindol-1-one
CID 163382239
2-(3-hydroxy-3-methylbutan-2-yl)-7-methyl-3H-isoindol-1-one
CID 163382517
ethanimidoyl 4-[2-[(1R)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methylbenzenecarboximidothioate
CID 167085650
2-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-7-(1,3-dimethylindazol-5-yl)-6-fluoro-3H-isoindol-1-one
CID 163382195
[[(3S)-3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] 2,2-dimethylpropanoate
CID 58620214
N-[2-[(1S)-1-(5-ethoxy-4-methoxycyclohexa-2,4-dien-1-yl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
CID 90334403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide (CID 163382456) is 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide is COc1ncc(Cl)c(C(=O)Nc2cccc3c2C(=O)N([C@@H](C2CC2)C(C)(C)O)C3)c1C.
What is the InChIKey of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
The InChIKey is LSWDTRPHTQSKMK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-12-17(15(24)10-25-21(12)31-4)20(28)26-16-7-5-6-14-11-27(22(29)18(14)16)19(13-8-9-13)23(2,3)30/h5-7,10,13,19,30H,8-9,11H2,1-4H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide?
5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(1S)-1-cyclopropyl-2-hydroxy-2-methylpropyl]-3-oxo-1H-isoindol-4-yl]-2-methoxy-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 163382456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).