3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide

C19H16F2N6O2 — CID 159466237

IUPAC3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nccnc2N2CC(Oc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C19H16F2N6O2/c1-11-6-16(25-10-24-11)26-19(28)17-18(23-5-4-22-17)27-8-13(9-27)29-12-2-3-14(20)15(21)7-12/h2-7,10,13H,8-9H2,1H3,(H,24,25,26,28)
InChIKeyLVFITSASCXCKKL-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.37
Rot. Bonds5

About 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide

3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide (PubChem CID 159466237) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide
PubChem CID159466237
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC Name3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)c2nccnc2N2CC(Oc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C19H16F2N6O2/c1-11-6-16(25-10-24-11)26-19(28)17-18(23-5-4-22-17)27-8-13(9-27)29-12-2-3-14(20)15(21)7-12/h2-7,10,13H,8-9H2,1H3,(H,24,25,26,28)
InChIKeyLVFITSASCXCKKL-UHFFFAOYSA-N
XLogP2.37
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 165415171
3-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222087
6-cyclopropyl-N-(3-ethoxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415117
6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415187
6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415234
6-cyclopropyl-N-(6-propan-2-yloxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415283
3-[[2-[4-(2,6-difluorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425975
US9920053, Example 28
CID 118958446
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methyl-3-pyridinyl]-5-methoxypyrazine-2-carboxamide
CID 151188052
US11780827, Example 25
CID 159321325
US11780827, Example 18
CID 160330992
US11780827, Example 21
CID 161291168

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide (CID 159466237) is 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide is Cc1cc(NC(=O)c2nccnc2N2CC(Oc3ccc(F)c(F)c3)C2)ncn1.
What is the InChIKey of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide?
The InChIKey is LVFITSASCXCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c1-11-6-16(25-10-24-11)26-19(28)17-18(23-5-4-22-17)27-8-13(9-27)29-12-2-3-14(20)15(21)7-12/h2-7,10,13H,8-9H2,1H3,(H,24,25,26,28).
What are the key properties of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide?
3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 159466237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).