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

C19H19FN6O2 — CID 71285592

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O2/c1-10(9-28-3)23-19(27)13-7-21-18-17(13)24-14(8-22-18)16-12-5-4-11(20)6-15(12)26(2)25-16/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1
InChIKeyMTZQEONIKAQOJD-JTQLQIEISA-N
MW382.40 g/mol
LogP2.42
Rot. Bonds5

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

2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71285592) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71285592
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O2/c1-10(9-28-3)23-19(27)13-7-21-18-17(13)24-14(8-22-18)16-12-5-4-11(20)6-15(12)26(2)25-16/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1
InChIKeyMTZQEONIKAQOJD-JTQLQIEISA-N
XLogP2.42
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71285592) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MTZQEONIKAQOJD-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-10(9-28-3)23-19(27)13-7-21-18-17(13)24-14(8-22-18)16-12-5-4-11(20)6-15(12)26(2)25-16/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.42, 5 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-[(2S)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71285592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).