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

C20H19FN6O2 — CID 71285775

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C1COC1
InChIInChI=1S/C20H19FN6O2/c1-10(11-8-29-9-11)24-20(28)14-6-22-19-18(14)25-15(7-23-19)17-13-4-3-12(21)5-16(13)27(2)26-17/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28)/t10-/m1/s1
InChIKeyDRBBNZVEEXHBGU-SNVBAGLBSA-N
MW394.41 g/mol
LogP2.42
Rot. Bonds4

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285775) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285775
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C1COC1
InChIInChI=1S/C20H19FN6O2/c1-10(11-8-29-9-11)24-20(28)14-6-22-19-18(14)25-15(7-23-19)17-13-4-3-12(21)5-16(13)27(2)26-17/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28)/t10-/m1/s1
InChIKeyDRBBNZVEEXHBGU-SNVBAGLBSA-N
XLogP2.42
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide 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-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285775) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C1COC1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DRBBNZVEEXHBGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H19FN6O2/c1-10(11-8-29-9-11)24-20(28)14-6-22-19-18(14)25-15(7-23-19)17-13-4-3-12(21)5-16(13)27(2)26-17/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)(H,24,28)/t10-/m1/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).