N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H27N5O2 — CID 43041617

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(C)CC(=O)NC(C)(C)C)cc(-c3ccccc3)nc21
InChIInChI=1S/C22H27N5O2/c1-6-27-20-17(13-23-27)16(12-18(24-20)15-10-8-7-9-11-15)21(29)26(5)14-19(28)25-22(2,3)4/h7-13H,6,14H2,1-5H3,(H,25,28)
InChIKeyUWBYHEPFXIMDSX-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43041617) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43041617
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)N(C)CC(=O)NC(C)(C)C)cc(-c3ccccc3)nc21
InChIInChI=1S/C22H27N5O2/c1-6-27-20-17(13-23-27)16(12-18(24-20)15-10-8-7-9-11-15)21(29)26(5)14-19(28)25-22(2,3)4/h7-13H,6,14H2,1-5H3,(H,25,28)
InChIKeyUWBYHEPFXIMDSX-UHFFFAOYSA-N
XLogP3.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 119362192
1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43054400
2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531682
N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46559207
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532182
1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60556984
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17462030
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43041617) is N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(C)CC(=O)NC(C)(C)C)cc(-c3ccccc3)nc21.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UWBYHEPFXIMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-6-27-20-17(13-23-27)16(12-18(24-20)15-10-8-7-9-11-15)21(29)26(5)14-19(28)25-22(2,3)4/h7-13H,6,14H2,1-5H3,(H,25,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43041617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).