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

C19H20FN7O2 — CID 126597522

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC(C)(C)CN)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H20FN7O2/c1-19(2,9-21)25-18(28)29-14-8-23-17-16(14)24-12(7-22-17)15-11-5-4-10(20)6-13(11)27(3)26-15/h4-8H,9,21H2,1-3H3,(H,22,23)(H,25,28)
InChIKeySTUOHHWTHCKUHH-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.48
Rot. Bonds4

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

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate (PubChem CID 126597522) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate
PubChem CID126597522
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate
SMILESCn1nc(-c2cnc3[nH]cc(OC(=O)NC(C)(C)CN)c3n2)c2ccc(F)cc21
InChIInChI=1S/C19H20FN7O2/c1-19(2,9-21)25-18(28)29-14-8-23-17-16(14)24-12(7-22-17)15-11-5-4-10(20)6-13(11)27(3)26-15/h4-8H,9,21H2,1-3H3,(H,22,23)(H,25,28)
InChIKeySTUOHHWTHCKUHH-UHFFFAOYSA-N
XLogP2.48
TPSA123.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
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-(1-amino-2-methylpropan-2-yl)carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate (CID 126597522) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-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-(1-amino-2-methylpropan-2-yl)carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate is Cn1nc(-c2cnc3[nH]cc(OC(=O)NC(C)(C)CN)c3n2)c2ccc(F)cc21.
What is the InChIKey of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate?
The InChIKey is STUOHHWTHCKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c1-19(2,9-21)25-18(28)29-14-8-23-17-16(14)24-12(7-22-17)15-11-5-4-10(20)6-13(11)27(3)26-15/h4-8H,9,21H2,1-3H3,(H,22,23)(H,25,28).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-amino-2-methylpropan-2-yl)carbamate has a molecular weight of 397.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 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-(1-amino-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 126597522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).