2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide

C21H18FN5O3 — CID 98134851

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc(=O)n3[nH]c(-c4cccnc4)cc3n2)cc1F
InChIInChI=1S/C21H18FN5O3/c1-30-18-5-4-13(7-16(18)22)8-20(28)24-12-15-9-21(29)27-19(25-15)10-17(26-27)14-3-2-6-23-11-14/h2-7,9-11,26H,8,12H2,1H3,(H,24,28)
InChIKeySLISDXFWDHZMKR-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.09
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide

2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (PubChem CID 98134851) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
PubChem CID98134851
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc(=O)n3[nH]c(-c4cccnc4)cc3n2)cc1F
InChIInChI=1S/C21H18FN5O3/c1-30-18-5-4-13(7-16(18)22)8-20(28)24-12-15-9-21(29)27-19(25-15)10-17(26-27)14-3-2-6-23-11-14/h2-7,9-11,26H,8,12H2,1H3,(H,24,28)
InChIKeySLISDXFWDHZMKR-UHFFFAOYSA-N
XLogP2.09
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
5-[1-[(2,6-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110239180
2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]acetamide
CID 98134860
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
5-methyl-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 92555785
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (CID 98134851) is 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2cc(=O)n3[nH]c(-c4cccnc4)cc3n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The InChIKey is SLISDXFWDHZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-30-18-5-4-13(7-16(18)22)8-20(28)24-12-15-9-21(29)27-19(25-15)10-17(26-27)14-3-2-6-23-11-14/h2-7,9-11,26H,8,12H2,1H3,(H,24,28).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide has a molecular weight of 407.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-[(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 98134851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).