N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C15H23N5O — CID 166626433

IUPACN-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H23N5O/c1-9(2)13-7-11(15(21)17-6-5-16)12-8-18-20(10(3)4)14(12)19-13/h7-10H,5-6,16H2,1-4H3,(H,17,21)
InChIKeyWAUBCYAILXKAJN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.82
Rot. Bonds5

About N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166626433) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166626433
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN)c2cnn(C(C)C)c2n1
InChIInChI=1S/C15H23N5O/c1-9(2)13-7-11(15(21)17-6-5-16)12-8-18-20(10(3)4)14(12)19-13/h7-10H,5-6,16H2,1-4H3,(H,17,21)
InChIKeyWAUBCYAILXKAJN-UHFFFAOYSA-N
XLogP1.82
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166626433) is N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCCN)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WAUBCYAILXKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9(2)13-7-11(15(21)17-6-5-16)12-8-18-20(10(3)4)14(12)19-13/h7-10H,5-6,16H2,1-4H3,(H,17,21).
What are the key properties of N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166626433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).