4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide

C20H16FN5O2 — CID 134326801

IUPAC4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cnc(-c4c(F)cccc4OC)nc23)cc1
InChIInChI=1S/C20H16FN5O2/c1-22-20(27)12-8-6-11(7-9-12)17-18-14(25-26-17)10-23-19(24-18)16-13(21)4-3-5-15(16)28-2/h3-10H,1-2H3,(H,22,27)(H,25,26)
InChIKeyURESSQRIZWGXAF-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.19
Rot. Bonds4

About 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide

4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide (PubChem CID 134326801) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide
PubChem CID134326801
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2n[nH]c3cnc(-c4c(F)cccc4OC)nc23)cc1
InChIInChI=1S/C20H16FN5O2/c1-22-20(27)12-8-6-11(7-9-12)17-18-14(25-26-17)10-23-19(24-18)16-13(21)4-3-5-15(16)28-2/h3-10H,1-2H3,(H,22,27)(H,25,26)
InChIKeyURESSQRIZWGXAF-UHFFFAOYSA-N
XLogP3.19
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide (CID 134326801) is 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2n[nH]c3cnc(-c4c(F)cccc4OC)nc23)cc1.
What is the InChIKey of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide?
The InChIKey is URESSQRIZWGXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-22-20(27)12-8-6-11(7-9-12)17-18-14(25-26-17)10-23-19(24-18)16-13(21)4-3-5-15(16)28-2/h3-10H,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide?
4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide has a molecular weight of 377.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 134326801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).