2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid

C19H17FN6O3 — CID 71279570

IUPAC2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN6O3/c1-19(2,18(28)29)24-17(27)11-7-21-16-15(11)23-12(8-22-16)14-10-5-4-9(20)6-13(10)26(3)25-14/h4-8H,1-3H3,(H,21,22)(H,24,27)(H,28,29)
InChIKeyOZUJVXDANPZURP-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.24
Rot. Bonds4

About 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid

2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 71279570) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid
PubChem CID71279570
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC Name2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H17FN6O3/c1-19(2,18(28)29)24-17(27)11-7-21-16-15(11)23-12(8-22-16)14-10-5-4-9(20)6-13(10)26(3)25-14/h4-8H,1-3H3,(H,21,22)(H,24,27)(H,28,29)
InChIKeyOZUJVXDANPZURP-UHFFFAOYSA-N
XLogP2.24
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid (CID 71279570) is 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid is Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C(=O)O)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is OZUJVXDANPZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c1-19(2,18(28)29)24-17(27)11-7-21-16-15(11)23-12(8-22-16)14-10-5-4-9(20)6-13(10)26(3)25-14/h4-8H,1-3H3,(H,21,22)(H,24,27)(H,28,29).
What are the key properties of 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid?
2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 396.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 71279570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).