2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H26FN7O — CID 71281579

IUPAC2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(Cc1nn(CCC2CNC2)c2cc(F)ccc12)c1cnc2[nH]cc(C(N)=O)c2n1
InChIInChI=1S/C23H26FN7O/c1-23(2,19-12-28-22-20(29-19)16(11-27-22)21(25)32)8-17-15-4-3-14(24)7-18(15)31(30-17)6-5-13-9-26-10-13/h3-4,7,11-13,26H,5-6,8-10H2,1-2H3,(H2,25,32)(H,27,28)
InChIKeyQXZBSPUNKNQLFX-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.68
Rot. Bonds7

About 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71281579) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71281579
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(Cc1nn(CCC2CNC2)c2cc(F)ccc12)c1cnc2[nH]cc(C(N)=O)c2n1
InChIInChI=1S/C23H26FN7O/c1-23(2,19-12-28-22-20(29-19)16(11-27-22)21(25)32)8-17-15-4-3-14(24)7-18(15)31(30-17)6-5-13-9-26-10-13/h3-4,7,11-13,26H,5-6,8-10H2,1-2H3,(H2,25,32)(H,27,28)
InChIKeyQXZBSPUNKNQLFX-UHFFFAOYSA-N
XLogP2.68
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71281579) is 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(Cc1nn(CCC2CNC2)c2cc(F)ccc12)c1cnc2[nH]cc(C(N)=O)c2n1.
What is the InChIKey of 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QXZBSPUNKNQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-23(2,19-12-28-22-20(29-19)16(11-27-22)21(25)32)8-17-15-4-3-14(24)7-18(15)31(30-17)6-5-13-9-26-10-13/h3-4,7,11-13,26H,5-6,8-10H2,1-2H3,(H2,25,32)(H,27,28).
What are the key properties of 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-2-methylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71281579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).