5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H32N6O3 — CID 163514089

IUPAC5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C(=O)Cc1cc(CC(C)(C)C)no1)c1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cn1
InChIInChI=1S/C24H32N6O3/c1-13(2)30-22(25)20(23(26)32)21(28-30)15-7-8-18(27-12-15)14(3)19(31)10-17-9-16(29-33-17)11-24(4,5)6/h7-9,12-14H,10-11,25H2,1-6H3,(H2,26,32)
InChIKeyDFFAHCXQRVZAKO-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.70
Rot. Bonds8

About 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163514089) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163514089
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C(=O)Cc1cc(CC(C)(C)C)no1)c1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cn1
InChIInChI=1S/C24H32N6O3/c1-13(2)30-22(25)20(23(26)32)21(28-30)15-7-8-18(27-12-15)14(3)19(31)10-17-9-16(29-33-17)11-24(4,5)6/h7-9,12-14H,10-11,25H2,1-6H3,(H2,26,32)
InChIKeyDFFAHCXQRVZAKO-UHFFFAOYSA-N
XLogP3.70
TPSA142.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163514089) is 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C(=O)Cc1cc(CC(C)(C)C)no1)c1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cn1.
What is the InChIKey of 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DFFAHCXQRVZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-13(2)30-22(25)20(23(26)32)21(28-30)15-7-8-18(27-12-15)14(3)19(31)10-17-9-16(29-33-17)11-24(4,5)6/h7-9,12-14H,10-11,25H2,1-6H3,(H2,26,32).
What are the key properties of 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163514089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).