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

C21H24N6O2 — CID 71280407

IUPACN-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3[nH]nc4c(C(C)(C)O)cccc34)nc12
InChIInChI=1S/C21H24N6O2/c1-20(2,3)25-19(28)12-9-22-18-17(12)24-14(10-23-18)16-11-7-6-8-13(21(4,5)29)15(11)26-27-16/h6-10,29H,1-5H3,(H,22,23)(H,25,28)(H,26,27)
InChIKeyNLQOKMKYJKNJGC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.26
Rot. Bonds3

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

N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280407) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280407
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3[nH]nc4c(C(C)(C)O)cccc34)nc12
InChIInChI=1S/C21H24N6O2/c1-20(2,3)25-19(28)12-9-22-18-17(12)24-14(10-23-18)16-11-7-6-8-13(21(4,5)29)15(11)26-27-16/h6-10,29H,1-5H3,(H,22,23)(H,25,28)(H,26,27)
InChIKeyNLQOKMKYJKNJGC-UHFFFAOYSA-N
XLogP3.26
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280407) is N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3[nH]nc4c(C(C)(C)O)cccc34)nc12.
What is the InChIKey of N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NLQOKMKYJKNJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-20(2,3)25-19(28)12-9-22-18-17(12)24-14(10-23-18)16-11-7-6-8-13(21(4,5)29)15(11)26-27-16/h6-10,29H,1-5H3,(H,22,23)(H,25,28)(H,26,27).
What are the key properties of N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).