N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H17FN6O2 — CID 165415262

IUPACN-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc1F
InChIInChI=1S/C20H17FN6O2/c1-11(28)15-6-13(4-5-16(15)21)26-20(29)18-19(25-14-7-22-10-23-8-14)24-9-17(27-18)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,25)(H,26,29)
InChIKeyWMUMGYFCEKQTKL-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.48
Rot. Bonds6

About N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415262) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415262
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC NameN-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc1F
InChIInChI=1S/C20H17FN6O2/c1-11(28)15-6-13(4-5-16(15)21)26-20(29)18-19(25-14-7-22-10-23-8-14)24-9-17(27-18)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,25)(H,26,29)
InChIKeyWMUMGYFCEKQTKL-UHFFFAOYSA-N
XLogP3.48
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415262) is N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(=O)c1cc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc1F.
What is the InChIKey of N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is WMUMGYFCEKQTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-11(28)15-6-13(4-5-16(15)21)26-20(29)18-19(25-14-7-22-10-23-8-14)24-9-17(27-18)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,24,25)(H,26,29).
What are the key properties of N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-fluorophenyl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).