2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H17ClN6O2 — CID 71288435

IUPAC2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12
InChIInChI=1S/C18H17ClN6O2/c1-18(2,9-26)24-17(27)12-7-20-16-15(12)23-14(8-21-16)25-13-5-11(19)4-3-10(13)6-22-25/h3-8,26H,9H2,1-2H3,(H,20,21)(H,24,27)
InChIKeyDLZNMCBJFXGZOW-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.45
Rot. Bonds4

About 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288435) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288435
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12
InChIInChI=1S/C18H17ClN6O2/c1-18(2,9-26)24-17(27)12-7-20-16-15(12)23-14(8-21-16)25-13-5-11(19)4-3-10(13)6-22-25/h3-8,26H,9H2,1-2H3,(H,20,21)(H,24,27)
InChIKeyDLZNMCBJFXGZOW-UHFFFAOYSA-N
XLogP2.45
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288435) is 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CO)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(Cl)cc43)nc12.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DLZNMCBJFXGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-18(2,9-26)24-17(27)12-7-20-16-15(12)23-14(8-21-16)25-13-5-11(19)4-3-10(13)6-22-25/h3-8,26H,9H2,1-2H3,(H,20,21)(H,24,27).
What are the key properties of 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).