8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine

C18H23N5 — CID 137472081

IUPAC8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine
SMILESCC(C)(C)c1ccnc2nc(CC(C)(C)c3cn[nH]c3)cnc12
InChIInChI=1S/C18H23N5/c1-17(2,3)14-6-7-19-16-15(14)20-11-13(23-16)8-18(4,5)12-9-21-22-10-12/h6-7,9-11H,8H2,1-5H3,(H,21,22)
InChIKeyOFTJMBURRIGXLU-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.57
Rot. Bonds3

About 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine

8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine (PubChem CID 137472081) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine
PubChem CID137472081
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine
SMILESCC(C)(C)c1ccnc2nc(CC(C)(C)c3cn[nH]c3)cnc12
InChIInChI=1S/C18H23N5/c1-17(2,3)14-6-7-19-16-15(14)20-11-13(23-16)8-18(4,5)12-9-21-22-10-12/h6-7,9-11H,8H2,1-5H3,(H,21,22)
InChIKeyOFTJMBURRIGXLU-UHFFFAOYSA-N
XLogP3.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1H-pyrazole;ethane
CID 142062876
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
4-(2-methylhexan-2-yl)-1H-pyrazole
CID 130280385
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 140900846
2-oxo-2-[8-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]acetaldehyde
CID 174808499
2-methoxy-2-(1H-pyrazol-4-yl)propan-1-amine
CID 83826472
4-tert-butyl-2-ethoxy-3-methylpyridine
CID 58837611
4-tert-butyl-2-pentylpyridine
CID 129189676
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
5-[1-(5-tert-butylthieno[3,4-b]pyrazin-3-yl)-2-methylpropan-2-yl]furo[3,4-b]pyrazine
CID 130451781
6-(2-methylbutan-2-yl)-1H-indazole
CID 89048123

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine?
The IUPAC name of 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine (CID 137472081) is 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine.
What is the SMILES notation for 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine?
The canonical SMILES for 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine is CC(C)(C)c1ccnc2nc(CC(C)(C)c3cn[nH]c3)cnc12.
What is the InChIKey of 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine?
The InChIKey is OFTJMBURRIGXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-17(2,3)14-6-7-19-16-15(14)20-11-13(23-16)8-18(4,5)12-9-21-22-10-12/h6-7,9-11H,8H2,1-5H3,(H,21,22).
What are the key properties of 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine?
8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine has a molecular weight of 309.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[2-methyl-2-(1H-pyrazol-4-yl)propyl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 137472081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).