6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide

C19H27F2N5O3 — CID 71526035

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC
InChIInChI=1S/C19H27F2N5O3/c1-4-18(5-2,17(28)22-3)25-15(27)13-8-23-14(26-10-19(20,21)11-26)16(24-13)29-9-12-6-7-12/h8,12H,4-7,9-11H2,1-3H3,(H,22,28)(H,25,27)
InChIKeyYHZCBYJGPPZOGX-UHFFFAOYSA-N
MW411.45 g/mol
LogP1.76
Rot. Bonds9

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide (PubChem CID 71526035) has the molecular formula C19H27F2N5O3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide
PubChem CID71526035
Molecular FormulaC19H27F2N5O3
Molecular Weight411.45 g/mol
Exact Mass411.21
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC
InChIInChI=1S/C19H27F2N5O3/c1-4-18(5-2,17(28)22-3)25-15(27)13-8-23-14(26-10-19(20,21)11-26)16(24-13)29-9-12-6-7-12/h8,12H,4-7,9-11H2,1-3H3,(H,22,28)(H,25,27)
InChIKeyYHZCBYJGPPZOGX-UHFFFAOYSA-N
XLogP1.76
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]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-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide (CID 71526035) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide is CCC(CC)(NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide?
The InChIKey is YHZCBYJGPPZOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N5O3/c1-4-18(5-2,17(28)22-3)25-15(27)13-8-23-14(26-10-19(20,21)11-26)16(24-13)29-9-12-6-7-12/h8,12H,4-7,9-11H2,1-3H3,(H,22,28)(H,25,27).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 71526035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).