N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H22N6O2 — CID 58438606

IUPACN-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC1(C#N)CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C2CC2)C1
InChIInChI=1S/C20H22N6O2/c1-20(8-21)9-26(10-20)19(28)15(12-4-5-12)25-18(27)13-6-22-17-16(13)24-14(7-23-17)11-2-3-11/h6-7,11-12,15H,2-5,9-10H2,1H3,(H,22,23)(H,25,27)/t15-/m1/s1
InChIKeySKZDLIRIXSVLSJ-OAHLLOKOSA-N
MW378.44 g/mol
LogP1.72
Rot. Bonds5

About N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58438606) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58438606
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC1(C#N)CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C2CC2)C1
InChIInChI=1S/C20H22N6O2/c1-20(8-21)9-26(10-20)19(28)15(12-4-5-12)25-18(27)13-6-22-17-16(13)24-14(7-23-17)11-2-3-11/h6-7,11-12,15H,2-5,9-10H2,1H3,(H,22,23)(H,25,27)/t15-/m1/s1
InChIKeySKZDLIRIXSVLSJ-OAHLLOKOSA-N
XLogP1.72
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58438606) is N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC1(C#N)CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C2CC2)C1.
What is the InChIKey of N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is SKZDLIRIXSVLSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(8-21)9-26(10-20)19(28)15(12-4-5-12)25-18(27)13-6-22-17-16(13)24-14(7-23-17)11-2-3-11/h6-7,11-12,15H,2-5,9-10H2,1H3,(H,22,23)(H,25,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58438606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).