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

C16H15ClN6O2 — CID 87380460

IUPAC2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESN#CC1CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(Cl)nc23)C2CC2)C1
InChIInChI=1S/C16H15ClN6O2/c17-11-5-20-14-13(21-11)10(4-19-14)15(24)22-12(9-1-2-9)16(25)23-6-8(3-18)7-23/h4-5,8-9,12H,1-2,6-7H2,(H,19,20)(H,22,24)/t12-/m1/s1
InChIKeyWPRRDWRAEZCCNQ-GFCCVEGCSA-N
MW358.79 g/mol
LogP1.10
Rot. Bonds4

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

2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 87380460) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID87380460
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESN#CC1CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(Cl)nc23)C2CC2)C1
InChIInChI=1S/C16H15ClN6O2/c17-11-5-20-14-13(21-11)10(4-19-14)15(24)22-12(9-1-2-9)16(25)23-6-8(3-18)7-23/h4-5,8-9,12H,1-2,6-7H2,(H,19,20)(H,22,24)/t12-/m1/s1
InChIKeyWPRRDWRAEZCCNQ-GFCCVEGCSA-N
XLogP1.10
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-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 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 87380460) is 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is N#CC1CN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(Cl)nc23)C2CC2)C1.
What is the InChIKey of 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WPRRDWRAEZCCNQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c17-11-5-20-14-13(21-11)10(4-19-14)15(24)22-12(9-1-2-9)16(25)23-6-8(3-18)7-23/h4-5,8-9,12H,1-2,6-7H2,(H,19,20)(H,22,24)/t12-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 87380460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).