5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

C20H26N8O3 — CID 163291951

IUPAC5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C20H26N8O3/c1-10(2)28-18(21)16(19(22)30)17(26-28)12-9-23-11(8-24-12)6-15(29)25-14-7-13(31-27-14)20(3,4)5/h7-10H,6,21H2,1-5H3,(H2,22,30)(H,25,27,29)
InChIKeyRQLUYMHRHQIREF-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.07
Rot. Bonds6

About 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291951) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291951
Molecular FormulaC20H26N8O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC Name5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N
InChIInChI=1S/C20H26N8O3/c1-10(2)28-18(21)16(19(22)30)17(26-28)12-9-23-11(8-24-12)6-15(29)25-14-7-13(31-27-14)20(3,4)5/h7-10H,6,21H2,1-5H3,(H2,22,30)(H,25,27,29)
InChIKeyRQLUYMHRHQIREF-UHFFFAOYSA-N
XLogP2.07
TPSA167.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(tert-butyl)-3-isoxazolyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811417
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155546567
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 53464466
3-[4-[5-(tert-butylamino)-3-pyridinyl]triazol-1-yl]-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methylbenzamide
CID 53464533
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-(propan-2-ylamino)-3-pyridinyl]triazol-1-yl]benzamide
CID 53464591
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(dimethylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 53464595
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 53464723
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide
CID 53464783
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 53464845
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 89700653
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-[ethyl(methyl)amino]-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
CID 89707258
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-(methylamino)-3-pyridinyl]triazol-1-yl]benzamide
CID 89708472

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291951) is 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2cnc(CC(=O)Nc3cc(C(C)(C)C)on3)cn2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is RQLUYMHRHQIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-10(2)28-18(21)16(19(22)30)17(26-28)12-9-23-11(8-24-12)6-15(29)25-14-7-13(31-27-14)20(3,4)5/h7-10H,6,21H2,1-5H3,(H2,22,30)(H,25,27,29).
What are the key properties of 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[5-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazin-2-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).