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

C21H21ClN6O2 — CID 71286026

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CCCO1
InChIInChI=1S/C21H21ClN6O2/c1-11(17-4-3-7-30-17)25-21(29)14-9-23-20-19(14)26-15(10-24-20)18-13-6-5-12(22)8-16(13)28(2)27-18/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyJDOHLRJGPZBAAQ-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.46
Rot. Bonds4

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

2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286026) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286026
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CCCO1
InChIInChI=1S/C21H21ClN6O2/c1-11(17-4-3-7-30-17)25-21(29)14-9-23-20-19(14)26-15(10-24-20)18-13-6-5-12(22)8-16(13)28(2)27-18/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,23,24)(H,25,29)
InChIKeyJDOHLRJGPZBAAQ-UHFFFAOYSA-N
XLogP3.46
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286026) is 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CCCO1.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JDOHLRJGPZBAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-11(17-4-3-7-30-17)25-21(29)14-9-23-20-19(14)26-15(10-24-20)18-13-6-5-12(22)8-16(13)28(2)27-18/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,23,24)(H,25,29).
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[1-(oxolan-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).