2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone

C18H14ClFN4O — CID 58318825

IUPAC2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
SMILESCN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H14ClFN4O/c1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)6-16)18(25)7-15-3-2-13(19)8-23-15/h2-6,8-11H,7H2,1H3
InChIKeyUZFPRPSEIIDDKK-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.86
Rot. Bonds5

About 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone

2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone (PubChem CID 58318825) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
PubChem CID58318825
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
SMILESCN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H14ClFN4O/c1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)6-16)18(25)7-15-3-2-13(19)8-23-15/h2-6,8-11H,7H2,1H3
InChIKeyUZFPRPSEIIDDKK-UHFFFAOYSA-N
XLogP3.86
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone with MolForge

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Related Compounds

13-[2-(3-Azidophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470749
Pyrimidine-4-carboxamide, 65
CID 44520946
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
2-[(6-chloro-3-pyridinyl)amino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 57388978
4-(2-chloro-6-fluorobenzoyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1H-pyrrole-2-carboxamide
CID 134610439
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzamide (A1)
CID 76401482
4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one
CID 10316614
4-[4-(5-Chloro-2-pyridinyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155563452
1-[3-[[4-(3-Pyridinyl)-2-pyrimidinyl]amino]phenyl]ethanone
CID 14347154
1-[3-[[6-Methyl-2-(3-pyridyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 78319452

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone (CID 58318825) is 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone is CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(Cl)cn2)c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
The InChIKey is UZFPRPSEIIDDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)6-16)18(25)7-15-3-2-13(19)8-23-15/h2-6,8-11H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone?
2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone has a molecular weight of 356.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone is sourced from PubChem (CID 58318825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).