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

C21H18FN5O3 — CID 135955422

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C
InChIInChI=1S/C21H18FN5O3/c1-12-13(2)23-21(25-20(12)29)27-18(11-16(26-27)17-4-3-9-30-17)24-19(28)10-14-5-7-15(22)8-6-14/h3-9,11H,10H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyMYMNTKISEZTZRT-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.15
Rot. Bonds5

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

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 135955422) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 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-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide
PubChem CID135955422
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)[nH]c(=O)c1C
InChIInChI=1S/C21H18FN5O3/c1-12-13(2)23-21(25-20(12)29)27-18(11-16(26-27)17-4-3-9-30-17)24-19(28)10-14-5-7-15(22)8-6-14/h3-9,11H,10H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyMYMNTKISEZTZRT-UHFFFAOYSA-N
XLogP3.15
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide (CID 135955422) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)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-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide is Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)Cc2ccc(F)cc2)[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-(4-fluorophenyl)acetamide?
The InChIKey is MYMNTKISEZTZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-12-13(2)23-21(25-20(12)29)27-18(11-16(26-27)17-4-3-9-30-17)24-19(28)10-14-5-7-15(22)8-6-14/h3-9,11H,10H2,1-2H3,(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-(4-fluorophenyl)acetamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 407.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 135955422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).