5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine

C16H18N4 — CID 54041189

IUPAC5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCc1cnc2c(c(C)nn2-c2ccccc2)c1NC
InChIInChI=1S/C16H18N4/c1-4-12-10-18-16-14(15(12)17-3)11(2)19-20(16)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyLMLUYFWPWUMUDN-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.33
Rot. Bonds3

About 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine

5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 54041189) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID54041189
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine
SMILESCCc1cnc2c(c(C)nn2-c2ccccc2)c1NC
InChIInChI=1S/C16H18N4/c1-4-12-10-18-16-14(15(12)17-3)11(2)19-20(16)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyLMLUYFWPWUMUDN-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
N-[(2R)-butan-2-yl]-4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626608
11-(2-fluorophenyl)-3-methyl-5-phenyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506093
4-chloro-3-methyl-N-(2-methylpropyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626606
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine
CID 10022281
3-methyl-11-(4-nitrophenyl)-5-phenyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 11538564
3-methyl-11-(2-nitrophenyl)-5-phenyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506313
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
4-chloro-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626634
6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 42670648

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine (CID 54041189) is 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine is CCc1cnc2c(c(C)nn2-c2ccccc2)c1NC.
What is the InChIKey of 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is LMLUYFWPWUMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-12-10-18-16-14(15(12)17-3)11(2)19-20(16)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine?
5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 54041189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).