2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H25F2N7O2 — CID 71279707

IUPAC2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC4CNC4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C23H25F2N7O2/c1-23(2,3)30-21(33)15-9-27-20-19(15)29-16(10-28-20)18-14-6-13(34-22(24)25)4-5-17(14)32(31-18)11-12-7-26-8-12/h4-6,9-10,12,22,26H,7-8,11H2,1-3H3,(H,27,28)(H,30,33)
InChIKeyJKVGJMYDQWSHAR-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279707) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279707
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC4CNC4)c4ccc(OC(F)F)cc34)nc12
InChIInChI=1S/C23H25F2N7O2/c1-23(2,3)30-21(33)15-9-27-20-19(15)29-16(10-28-20)18-14-6-13(34-22(24)25)4-5-17(14)32(31-18)11-12-7-26-8-12/h4-6,9-10,12,22,26H,7-8,11H2,1-3H3,(H,27,28)(H,30,33)
InChIKeyJKVGJMYDQWSHAR-UHFFFAOYSA-N
XLogP3.32
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279707) is 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC4CNC4)c4ccc(OC(F)F)cc34)nc12.
What is the InChIKey of 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JKVGJMYDQWSHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-23(2,3)30-21(33)15-9-27-20-19(15)29-16(10-28-20)18-14-6-13(34-22(24)25)4-5-17(14)32(31-18)11-12-7-26-8-12/h4-6,9-10,12,22,26H,7-8,11H2,1-3H3,(H,27,28)(H,30,33).
What are the key properties of 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-ylmethyl)-5-(difluoromethoxy)indazol-3-yl]-N-tert-butyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).