1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one

C19H14ClFN6O2 — CID 175460522

IUPAC1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESCn1nccc1Nc1nccc(-c2ccn(Oc3cccc(Cl)c3F)c(=O)c2)n1
InChIInChI=1S/C19H14ClFN6O2/c1-26-16(6-9-23-26)25-19-22-8-5-14(24-19)12-7-10-27(17(28)11-12)29-15-4-2-3-13(20)18(15)21/h2-11H,1H3,(H,22,24,25)
InChIKeyMLPHYKYRLNWPNK-UHFFFAOYSA-N
MW412.81 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one

1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one (PubChem CID 175460522) has the molecular formula C19H14ClFN6O2 and a molecular weight of 412.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
PubChem CID175460522
Molecular FormulaC19H14ClFN6O2
Molecular Weight412.81 g/mol
Exact Mass412.09
IUPAC Name1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
SMILESCn1nccc1Nc1nccc(-c2ccn(Oc3cccc(Cl)c3F)c(=O)c2)n1
InChIInChI=1S/C19H14ClFN6O2/c1-26-16(6-9-23-26)25-19-22-8-5-14(24-19)12-7-10-27(17(28)11-12)29-15-4-2-3-13(20)18(15)21/h2-11H,1H3,(H,22,24,25)
InChIKeyMLPHYKYRLNWPNK-UHFFFAOYSA-N
XLogP3.42
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-oxopyridine-1-carboxamide
CID 156520673
4-[3-[(4-ethoxy-2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216811
2-(2-chlorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514289
4-[3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216678
1,1,1,3,3,3-hexafluoro-2-[[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propan-2-ol
CID 122619900
N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 118216820
2-(2-chlorophenyl)-2,2-difluoro-1-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 130204594
4-[1-[2-(2-chloro-5-fluorophenyl)ethyl]-7-fluoro-2,3-dihydroindol-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155071900
4-[3-[(5-chlorothiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118217102
4-[3-(4-fluoro-2-methylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 129190620
N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
CID 118216988

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one (CID 175460522) is 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one is Cn1nccc1Nc1nccc(-c2ccn(Oc3cccc(Cl)c3F)c(=O)c2)n1.
What is the InChIKey of 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
The InChIKey is MLPHYKYRLNWPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6O2/c1-26-16(6-9-23-26)25-19-22-8-5-14(24-19)12-7-10-27(17(28)11-12)29-15-4-2-3-13(20)18(15)21/h2-11H,1H3,(H,22,24,25).
What are the key properties of 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one?
1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one has a molecular weight of 412.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 175460522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).