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

C19H19FN6O3 — CID 126597488

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
SMILESCOC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O3/c1-10(9-28-3)23-19(27)29-15-8-22-18-17(15)24-13(7-21-18)16-12-5-4-11(20)6-14(12)26(2)25-16/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1
InChIKeyBZFSMRUOBJRKCP-JTQLQIEISA-N
MW398.40 g/mol
LogP2.77
Rot. Bonds5

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

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (PubChem CID 126597488) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
PubChem CID126597488
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
SMILESCOC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O3/c1-10(9-28-3)23-19(27)29-15-8-22-18-17(15)24-13(7-21-18)16-12-5-4-11(20)6-14(12)26(2)25-16/h4-8,10H,9H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1
InChIKeyBZFSMRUOBJRKCP-JTQLQIEISA-N
XLogP2.77
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.77
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)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (CID 126597488) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is COC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.
What is the InChIKey of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
The InChIKey is BZFSMRUOBJRKCP-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-10(9-28-3)23-19(27)29-15-8-22-18-17(15)24-13(7-21-18)16-12-5-4-11(20)6-14(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)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate has a molecular weight of 398.40 g/mol, XLogP of 2.77, 5 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)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 126597488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).