6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H17F2N7O2 — CID 58548166

IUPAC6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H17F2N7O2/c1-23-19(30)12-4-5-13(21)15(22)16(12)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-14(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
InChIKeyOTTXABBSBZYSLV-UHFFFAOYSA-N
MW425.40 g/mol
LogP2.78
Rot. Bonds6

About 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548166) has the molecular formula C20H17F2N7O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548166
Molecular FormulaC20H17F2N7O2
Molecular Weight425.40 g/mol
Exact Mass425.14
IUPAC Name6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H17F2N7O2/c1-23-19(30)12-4-5-13(21)15(22)16(12)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-14(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
InChIKeyOTTXABBSBZYSLV-UHFFFAOYSA-N
XLogP2.78
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548166) is 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is OTTXABBSBZYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2/c1-23-19(30)12-4-5-13(21)15(22)16(12)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-14(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31).
What are the key properties of 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2,3-difluoro-6-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).