1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

C17H22N6O — CID 44822932

IUPAC1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3ccn(C(C)C)n3)cc(C)nc21
InChIInChI=1S/C17H22N6O/c1-6-22-16-15(12(5)20-22)13(9-11(4)18-16)17(24)19-14-7-8-23(21-14)10(2)3/h7-10H,6H2,1-5H3,(H,19,21,24)
InChIKeyINUCCQYYUIPRFI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds4

About 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44822932) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44822932
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCn1nc(C)c2c(C(=O)Nc3ccn(C(C)C)n3)cc(C)nc21
InChIInChI=1S/C17H22N6O/c1-6-22-16-15(12(5)20-22)13(9-11(4)18-16)17(24)19-14-7-8-23(21-14)10(2)3/h7-10H,6H2,1-5H3,(H,19,21,24)
InChIKeyINUCCQYYUIPRFI-UHFFFAOYSA-N
XLogP3.10
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44823848
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
1-benzyl-3,6-dimethyl-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823444
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172
1-ethyl-3,6-dimethyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533776
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456
N-(3,5-dichloro-2-pyridinyl)-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533377
1-ethyl-N-(4-indol-1-ylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822576
N-[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51570375
N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092
1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588375

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 44822932) is 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is CCn1nc(C)c2c(C(=O)Nc3ccn(C(C)C)n3)cc(C)nc21.
What is the InChIKey of 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is INUCCQYYUIPRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-6-22-16-15(12(5)20-22)13(9-11(4)18-16)17(24)19-14-7-8-23(21-14)10(2)3/h7-10H,6H2,1-5H3,(H,19,21,24).
What are the key properties of 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).