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

C23H26FN7O — CID 71280683

IUPAC2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCC4CNC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C23H26FN7O/c1-23(2,3)29-22(32)16-11-26-21-20(16)28-17(12-27-21)19-15-5-4-14(24)8-18(15)31(30-19)7-6-13-9-25-10-13/h4-5,8,11-13,25H,6-7,9-10H2,1-3H3,(H,26,27)(H,29,32)
InChIKeyNSGYFOSFTIDRJR-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.25
Rot. Bonds5

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

2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280683) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280683
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCC4CNC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C23H26FN7O/c1-23(2,3)29-22(32)16-11-26-21-20(16)28-17(12-27-21)19-15-5-4-14(24)8-18(15)31(30-19)7-6-13-9-25-10-13/h4-5,8,11-13,25H,6-7,9-10H2,1-3H3,(H,26,27)(H,29,32)
InChIKeyNSGYFOSFTIDRJR-UHFFFAOYSA-N
XLogP3.25
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280683) is 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCC4CNC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NSGYFOSFTIDRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-23(2,3)29-22(32)16-11-26-21-20(16)28-17(12-27-21)19-15-5-4-14(24)8-18(15)31(30-19)7-6-13-9-25-10-13/h4-5,8,11-13,25H,6-7,9-10H2,1-3H3,(H,26,27)(H,29,32).
What are the key properties of 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azetidin-3-yl)ethyl]-6-fluoroindazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).