6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H19F2N7O2 — CID 58548248

IUPAC6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C21H19F2N7O2/c1-30(2)21(32)16-14(6-5-13(22)17(16)23)29-20(31)18-19(27-12-7-24-10-25-8-12)26-9-15(28-18)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,26,27)(H,29,31)
InChIKeyAUPFRAGEKZESMS-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.12
Rot. Bonds6

About 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548248) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548248
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C21H19F2N7O2/c1-30(2)21(32)16-14(6-5-13(22)17(16)23)29-20(31)18-19(27-12-7-24-10-25-8-12)26-9-15(28-18)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,26,27)(H,29,31)
InChIKeyAUPFRAGEKZESMS-UHFFFAOYSA-N
XLogP3.12
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548248) is 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C)C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F.
What is the InChIKey of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is AUPFRAGEKZESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-30(2)21(32)16-14(6-5-13(22)17(16)23)29-20(31)18-19(27-12-7-24-10-25-8-12)26-9-15(28-18)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,26,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 439.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3,4-difluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).