N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide

C21H18FN5O4 — CID 135955418

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2F)[nH]c(=O)c1C
InChIInChI=1S/C21H18FN5O4/c1-12-13(2)23-21(25-20(12)29)27-18(10-15(26-27)17-8-5-9-30-17)24-19(28)11-31-16-7-4-3-6-14(16)22/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyPYHXVFVDNINLBC-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.99
Rot. Bonds6

About N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 135955418) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID135955418
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2F)[nH]c(=O)c1C
InChIInChI=1S/C21H18FN5O4/c1-12-13(2)23-21(25-20(12)29)27-18(10-15(26-27)17-8-5-9-30-17)24-19(28)11-31-16-7-4-3-6-14(16)22/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyPYHXVFVDNINLBC-UHFFFAOYSA-N
XLogP2.99
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide (CID 135955418) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide is Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccccc2F)[nH]c(=O)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is PYHXVFVDNINLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-12-13(2)23-21(25-20(12)29)27-18(10-15(26-27)17-8-5-9-30-17)24-19(28)11-31-16-7-4-3-6-14(16)22/h3-10H,11H2,1-2H3,(H,24,28)(H,23,25,29).
What are the key properties of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 423.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 135955418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).