2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H15ClN6O — CID 71279368

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCNC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C17H15ClN6O/c1-3-19-17(25)11-7-20-16-15(11)22-12(8-21-16)14-10-5-4-9(18)6-13(10)24(2)23-14/h4-8H,3H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyXVBDOUXMFUXPRD-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.91
Rot. Bonds3

About 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279368) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279368
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCNC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C17H15ClN6O/c1-3-19-17(25)11-7-20-16-15(11)22-12(8-21-16)14-10-5-4-9(18)6-13(10)24(2)23-14/h4-8H,3H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyXVBDOUXMFUXPRD-UHFFFAOYSA-N
XLogP2.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71290391
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288429
2-(6-chloro-1-methylindazol-3-yl)-N-(3-hydroxycyclohexyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71287857
2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-3-hydroxycyclohexyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605848
N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285672
2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 162591664
2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286026
2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286050
N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288266
2-(6-fluoro-1-methylindazol-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288469
2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280513
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286167

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279368) is 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCNC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is XVBDOUXMFUXPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-3-19-17(25)11-7-20-16-15(11)22-12(8-21-16)14-10-5-4-9(18)6-13(10)24(2)23-14/h4-8H,3H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).