2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine

C48H54F2N16O4Si — CID 160960333

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](N)Cn1cccn1.C[C@H](Cn1cccn1)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C21H19FN8O.C21H24FN5O3Si.C6H11N3/c1-12(11-30-7-3-6-25-30)26-21(31)15-9-23-20-19(15)27-16(10-24-20)18-14-5-4-13(22)8-17(14)29(2)28-18;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-6(7)5-9-4-2-3-8-9/h3-10,12H,11H2,1-2H3,(H,23,24)(H,26,31);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);2-4,6H,5,7H2,1H3/t12-;;6-/m1.1/s1
InChIKeySWXVRWOPDJTIFD-IGLNIRHSSA-N
MW985.15 g/mol
LogP7.03
Rot. Bonds14

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine

2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 160960333) has the molecular formula C48H54F2N16O4Si and a molecular weight of 985.15 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine
PubChem CID160960333
Molecular FormulaC48H54F2N16O4Si
Molecular Weight985.15 g/mol
Exact Mass984.43
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](N)Cn1cccn1.C[C@H](Cn1cccn1)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C21H19FN8O.C21H24FN5O3Si.C6H11N3/c1-12(11-30-7-3-6-25-30)26-21(31)15-9-23-20-19(15)27-16(10-24-20)18-14-5-4-13(22)8-17(14)29(2)28-18;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-6(7)5-9-4-2-3-8-9/h3-10,12H,11H2,1-2H3,(H,23,24)(H,26,31);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);2-4,6H,5,7H2,1H3/t12-;;6-/m1.1/s1
InChIKeySWXVRWOPDJTIFD-IGLNIRHSSA-N
XLogP7.03
TPSA245.21 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.15
LogP ≤ 57.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine (CID 160960333) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine is C[C@@H](N)Cn1cccn1.C[C@H](Cn1cccn1)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is SWXVRWOPDJTIFD-IGLNIRHSSA-N. The full InChI is InChI=1S/C21H19FN8O.C21H24FN5O3Si.C6H11N3/c1-12(11-30-7-3-6-25-30)26-21(31)15-9-23-20-19(15)27-16(10-24-20)18-14-5-4-13(22)8-17(14)29(2)28-18;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-6(7)5-9-4-2-3-8-9/h3-10,12H,11H2,1-2H3,(H,23,24)(H,26,31);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);2-4,6H,5,7H2,1H3/t12-;;6-/m1.1/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 985.15 g/mol, XLogP of 7.03, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 160960333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).