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

C20H16FN7O2 — CID 71285914

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ncco1
InChIInChI=1S/C20H16FN7O2/c1-10(20-22-5-6-30-20)25-19(29)13-8-23-18-17(13)26-14(9-24-18)16-12-4-3-11(21)7-15(12)28(2)27-16/h3-10H,1-2H3,(H,23,24)(H,25,29)/t10-/m0/s1
InChIKeyFDJCRKKOQGXPNH-JTQLQIEISA-N
MW405.39 g/mol
LogP3.13
Rot. Bonds4

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285914) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285914
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ncco1
InChIInChI=1S/C20H16FN7O2/c1-10(20-22-5-6-30-20)25-19(29)13-8-23-18-17(13)26-14(9-24-18)16-12-4-3-11(21)7-15(12)28(2)27-16/h3-10H,1-2H3,(H,23,24)(H,25,29)/t10-/m0/s1
InChIKeyFDJCRKKOQGXPNH-JTQLQIEISA-N
XLogP3.13
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285914) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-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)c1ncco1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is FDJCRKKOQGXPNH-JTQLQIEISA-N. The full InChI is InChI=1S/C20H16FN7O2/c1-10(20-22-5-6-30-20)25-19(29)13-8-23-18-17(13)26-14(9-24-18)16-12-4-3-11(21)7-15(12)28(2)27-16/h3-10H,1-2H3,(H,23,24)(H,25,29)/t10-/m0/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 405.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).