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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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).