N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

C20H27F2N5O3 — CID 71525764

IUPACN-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESCN(C)C(=O)[C@H](CC1CC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H27F2N5O3/c1-26(2)19(29)14(7-12-3-4-12)24-17(28)15-8-23-16(27-10-20(21,22)11-27)18(25-15)30-9-13-5-6-13/h8,12-14H,3-7,9-11H2,1-2H3,(H,24,28)/t14-/m0/s1
InChIKeyNQQFWSXIDTZQNE-AWEZNQCLSA-N
MW423.46 g/mol
LogP1.71
Rot. Bonds9

About N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide

N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (PubChem CID 71525764) has the molecular formula C20H27F2N5O3 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
PubChem CID71525764
Molecular FormulaC20H27F2N5O3
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC NameN-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide
SMILESCN(C)C(=O)[C@H](CC1CC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C20H27F2N5O3/c1-26(2)19(29)14(7-12-3-4-12)24-17(28)15-8-23-16(27-10-20(21,22)11-27)18(25-15)30-9-13-5-6-13/h8,12-14H,3-7,9-11H2,1-2H3,(H,24,28)/t14-/m0/s1
InChIKeyNQQFWSXIDTZQNE-AWEZNQCLSA-N
XLogP1.71
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-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 N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide (CID 71525764) is N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is CN(C)C(=O)[C@H](CC1CC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is NQQFWSXIDTZQNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27F2N5O3/c1-26(2)19(29)14(7-12-3-4-12)24-17(28)15-8-23-16(27-10-20(21,22)11-27)18(25-15)30-9-13-5-6-13/h8,12-14H,3-7,9-11H2,1-2H3,(H,24,28)/t14-/m0/s1.
What are the key properties of N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide?
N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclopropyl-1-(dimethylamino)-1-oxopropan-2-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 71525764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).