3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide

C24H24ClFN4O3 — CID 175218041

IUPAC3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(F)c(-c2nc(-c3ccc(OCC4CC4)cn3)cc(=O)[nH]2)c1Cl)C(N)=O
InChIInChI=1S/C24H24ClFN4O3/c1-24(2,23(27)32)10-14-5-7-16(26)20(21(14)25)22-29-18(9-19(31)30-22)17-8-6-15(11-28-17)33-12-13-3-4-13/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,27,32)(H,29,30,31)
InChIKeyWEQILMHEVMCKAT-UHFFFAOYSA-N
MW470.93 g/mol
LogP4.13
Rot. Bonds8

About 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide

3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 175218041) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID175218041
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(F)c(-c2nc(-c3ccc(OCC4CC4)cn3)cc(=O)[nH]2)c1Cl)C(N)=O
InChIInChI=1S/C24H24ClFN4O3/c1-24(2,23(27)32)10-14-5-7-16(26)20(21(14)25)22-29-18(9-19(31)30-22)17-8-6-15(11-28-17)33-12-13-3-4-13/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,27,32)(H,29,30,31)
InChIKeyWEQILMHEVMCKAT-UHFFFAOYSA-N
XLogP4.13
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

3-[3-[4-[6-(cyclopropylmethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2,4-difluorophenyl]-2,2-dimethylpropanamide
CID 175218053
N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
CID 137301877
3-[4-chloro-3-[4-[4-(2-cyclopropylethynyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyrimidin-2-yl]-2-fluorophenyl]-2,2-dimethylpropanamide
CID 175217006
3-[3-[4-[6-(2-ethoxyethoxy)-3-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 175210116
2-[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]propanamide
CID 175704491
ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride
CID 118109731
methyl 4-[5-[(1-tert-butylpiperidin-4-yl)methoxy]-2-pyridinyl]-3-fluorobenzoate
CID 118109676
2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 137223799
1-[3-fluoro-4-[5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-pyridinyl]benzoyl]piperidine-4-carboxamide
CID 90017941
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
(2S)-N-[3-fluoro-4-[5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-pyridinyl]benzoyl]pyrrolidine-2-carboxamide
CID 90017268
tert-butyl 4-[[6-(2-fluoro-6-methyl-3-pyridinyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66673220

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide (CID 175218041) is 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide is CC(C)(Cc1ccc(F)c(-c2nc(-c3ccc(OCC4CC4)cn3)cc(=O)[nH]2)c1Cl)C(N)=O.
What is the InChIKey of 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is WEQILMHEVMCKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-24(2,23(27)32)10-14-5-7-16(26)20(21(14)25)22-29-18(9-19(31)30-22)17-8-6-15(11-28-17)33-12-13-3-4-13/h5-9,11,13H,3-4,10,12H2,1-2H3,(H2,27,32)(H,29,30,31).
What are the key properties of 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide?
3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 470.93 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 175218041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).