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

C19H20N6O2 — CID 71279846

IUPACN-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3[nH]nc4c(CO)cccc34)nc12
InChIInChI=1S/C19H20N6O2/c1-19(2,3)23-18(27)12-7-20-17-16(12)22-13(8-21-17)15-11-6-4-5-10(9-26)14(11)24-25-15/h4-8,26H,9H2,1-3H3,(H,20,21)(H,23,27)(H,24,25)
InChIKeyKQBJFWRJYGUZTQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.52
Rot. Bonds3

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

N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279846) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279846
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(-c3[nH]nc4c(CO)cccc34)nc12
InChIInChI=1S/C19H20N6O2/c1-19(2,3)23-18(27)12-7-20-17-16(12)22-13(8-21-17)15-11-6-4-5-10(9-26)14(11)24-25-15/h4-8,26H,9H2,1-3H3,(H,20,21)(H,23,27)(H,24,25)
InChIKeyKQBJFWRJYGUZTQ-UHFFFAOYSA-N
XLogP2.52
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.52
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-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279846) is N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3[nH]nc4c(CO)cccc34)nc12.
What is the InChIKey of N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KQBJFWRJYGUZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-19(2,3)23-18(27)12-7-20-17-16(12)22-13(8-21-17)15-11-6-4-5-10(9-26)14(11)24-25-15/h4-8,26H,9H2,1-3H3,(H,20,21)(H,23,27)(H,24,25).
What are the key properties of N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[7-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.52, 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-(hydroxymethyl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).