1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

C26H29N5O — CID 69183220

IUPAC1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(CC)NC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C26H29N5O/c1-5-20(6-2)29-26(32)23-22(19-13-17(4)14-27-15-19)21-16-28-31(7-3)25(21)30-24(23)18-11-9-8-10-12-18/h8-16,20H,5-7H2,1-4H3,(H,29,32)
InChIKeySDGTXLDCFZUWTD-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.41
Rot. Bonds7

About 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69183220) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID69183220
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(CC)NC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(C)c1
InChIInChI=1S/C26H29N5O/c1-5-20(6-2)29-26(32)23-22(19-13-17(4)14-27-15-19)21-16-28-31(7-3)25(21)30-24(23)18-11-9-8-10-12-18/h8-16,20H,5-7H2,1-4H3,(H,29,32)
InChIKeySDGTXLDCFZUWTD-UHFFFAOYSA-N
XLogP5.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 69183220) is 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is CCC(CC)NC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(C)c1.
What is the InChIKey of 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SDGTXLDCFZUWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-5-20(6-2)29-26(32)23-22(19-13-17(4)14-27-15-19)21-16-28-31(7-3)25(21)30-24(23)18-11-9-8-10-12-18/h8-16,20H,5-7H2,1-4H3,(H,29,32).
What are the key properties of 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide?
1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(5-methyl-3-pyridinyl)-N-pentan-3-yl-6-phenylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69183220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).