ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

C24H20ClFN4O5 — CID 142689547

IUPACethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2ccc(Cl)cn2)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C24H20ClFN4O5/c1-2-35-23(34)24(22(33)29-19-9-6-14(25)13-27-19)12-16(24)21(32)28-18-8-7-15(11-17(18)26)30-10-4-3-5-20(30)31/h3-11,13,16H,2,12H2,1H3,(H,28,32)(H,27,29,33)
InChIKeyXJSWIRSRAOMZBO-UHFFFAOYSA-N
MW498.90 g/mol
LogP3.17
Rot. Bonds7

About ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 142689547) has the molecular formula C24H20ClFN4O5 and a molecular weight of 498.90 g/mol. Its IUPAC name is ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID142689547
Molecular FormulaC24H20ClFN4O5
Molecular Weight498.90 g/mol
Exact Mass498.11
IUPAC Nameethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)Nc2ccc(Cl)cn2)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C24H20ClFN4O5/c1-2-35-23(34)24(22(33)29-19-9-6-14(25)13-27-19)12-16(24)21(32)28-18-8-7-15(11-17(18)26)30-10-4-3-5-20(30)31/h3-11,13,16H,2,12H2,1H3,(H,28,32)(H,27,29,33)
InChIKeyXJSWIRSRAOMZBO-UHFFFAOYSA-N
XLogP3.17
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.90
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2S)-2-N-(5-chloro-2-pyridinyl)-1-cyano-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 11698135
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-prop-2-enoxycarbonylcyclopropane-1-carboxylic acid
CID 66880311
2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 66882749
(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
CID 11226460
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
(2R,4R)-1-N-(4-chlorophenyl)-4-ethoxy-4-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 44582222
cis-(2S,3R)-3-N-(4-chlorophenyl)-1-N-ethyl-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-methylcyclopropane-1,2,3-tricarboxamide
CID 143223851
[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[2-fluoro-4-(2-oxo-4-phenylmethoxy-1-pyridinyl)phenyl]carbamoyl]cyclopropyl]methyl methanesulfonate
CID 87189304
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide
CID 58619664
2-N-(5-chloro-2-pyridinyl)-1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878306

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (CID 142689547) is ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1(C(=O)Nc2ccc(Cl)cn2)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is XJSWIRSRAOMZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O5/c1-2-35-23(34)24(22(33)29-19-9-6-14(25)13-27-19)12-16(24)21(32)28-18-8-7-15(11-17(18)26)30-10-4-3-5-20(30)31/h3-11,13,16H,2,12H2,1H3,(H,28,32)(H,27,29,33).
What are the key properties of ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 498.90 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 142689547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).