N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

C22H26N8O2 — CID 56573478

IUPACN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)Nc3cc(C(C)(C)C)nn3-c3ncccn3)nn(C)c2n1
InChIInChI=1S/C22H26N8O2/c1-13-10-14(2)25-19-18(13)20(28-29(19)6)32-12-17(31)26-16-11-15(22(3,4)5)27-30(16)21-23-8-7-9-24-21/h7-11H,12H2,1-6H3,(H,26,31)
InChIKeyXZSRRNSYKVORLV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.88
Rot. Bonds5

About N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (PubChem CID 56573478) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
PubChem CID56573478
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)Nc3cc(C(C)(C)C)nn3-c3ncccn3)nn(C)c2n1
InChIInChI=1S/C22H26N8O2/c1-13-10-14(2)25-19-18(13)20(28-29(19)6)32-12-17(31)26-16-11-15(22(3,4)5)27-30(16)21-23-8-7-9-24-21/h7-11H,12H2,1-6H3,(H,26,31)
InChIKeyXZSRRNSYKVORLV-UHFFFAOYSA-N
XLogP2.88
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-anilino-3-methylbutyl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 51136014
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 119046852
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
CID 154747614
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 56573638
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 56570632
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 98216077
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56531304
2-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46436643
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 56534380

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (CID 56573478) is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is Cc1cc(C)c2c(OCC(=O)Nc3cc(C(C)(C)C)nn3-c3ncccn3)nn(C)c2n1.
What is the InChIKey of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The InChIKey is XZSRRNSYKVORLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-13-10-14(2)25-19-18(13)20(28-29(19)6)32-12-17(31)26-16-11-15(22(3,4)5)27-30(16)21-23-8-7-9-24-21/h7-11H,12H2,1-6H3,(H,26,31).
What are the key properties of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide has a molecular weight of 434.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is sourced from PubChem (CID 56573478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).