N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide

C20H22FN5O3 — CID 59509109

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)ncn1
InChIInChI=1S/C20H22FN5O3/c1-12(2)10-26-20(28)8-14(25-26)7-19(27)24-18-9-16(22-11-23-18)15-6-13(21)4-5-17(15)29-3/h4-6,8-9,11-12,25H,7,10H2,1-3H3,(H,22,23,24,27)
InChIKeyRHGJYILPWMOBFH-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.62
Rot. Bonds7

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide (PubChem CID 59509109) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
PubChem CID59509109
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)ncn1
InChIInChI=1S/C20H22FN5O3/c1-12(2)10-26-20(28)8-14(25-26)7-19(27)24-18-9-16(22-11-23-18)15-6-13(21)4-5-17(15)29-3/h4-6,8-9,11-12,25H,7,10H2,1-3H3,(H,22,23,24,27)
InChIKeyRHGJYILPWMOBFH-UHFFFAOYSA-N
XLogP2.62
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
1-N'-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclopropane-1,1-dicarboxamide
CID 59509071
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-3-pyridin-3-ylurea
CID 59508979
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53104131
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 53010126
N-[6-(2-ethoxy-5-fluorophenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509065
cis-(1S,2R)-2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]cyclohexane-1-carboxamide
CID 59509076
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59509139
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one
CID 141365923
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide (CID 59509109) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide is COc1ccc(F)cc1-c1cc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide?
The InChIKey is RHGJYILPWMOBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-12(2)10-26-20(28)8-14(25-26)7-19(27)24-18-9-16(22-11-23-18)15-6-13(21)4-5-17(15)29-3/h4-6,8-9,11-12,25H,7,10H2,1-3H3,(H,22,23,24,27).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-[2-(2-methylpropyl)-3-oxo-1H-pyrazol-5-yl]acetamide is sourced from PubChem (CID 59509109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).