6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C16H23N5O — CID 166636180

IUPAC6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C16H23N5O/c1-10(2)21-15-13(9-19-21)12(16(22)18-7-6-17-3)8-14(20-15)11-4-5-11/h8-11,17H,4-7H2,1-3H3,(H,18,22)
InChIKeyGOXLVCZILKXNTI-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.84
Rot. Bonds6

About 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166636180) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166636180
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C16H23N5O/c1-10(2)21-15-13(9-19-21)12(16(22)18-7-6-17-3)8-14(20-15)11-4-5-11/h8-11,17H,4-7H2,1-3H3,(H,18,22)
InChIKeyGOXLVCZILKXNTI-UHFFFAOYSA-N
XLogP1.84
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166636180) is 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GOXLVCZILKXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)21-15-13(9-19-21)12(16(22)18-7-6-17-3)8-14(20-15)11-4-5-11/h8-11,17H,4-7H2,1-3H3,(H,18,22).
What are the key properties of 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166636180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).