N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C13H19N5O — CID 119382070

IUPACN-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN)c2cnn(C(C)C)c2n1
InChIInChI=1S/C13H19N5O/c1-8(2)18-12-11(7-16-18)10(6-9(3)17-12)13(19)15-5-4-14/h6-8H,4-5,14H2,1-3H3,(H,15,19)
InChIKeyAGXODPLZYUNVDU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.01
Rot. Bonds4

About N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119382070) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119382070
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCN)c2cnn(C(C)C)c2n1
InChIInChI=1S/C13H19N5O/c1-8(2)18-12-11(7-16-18)10(6-9(3)17-12)13(19)15-5-4-14/h6-8H,4-5,14H2,1-3H3,(H,15,19)
InChIKeyAGXODPLZYUNVDU-UHFFFAOYSA-N
XLogP1.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119382070) is N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCN)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is AGXODPLZYUNVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8(2)18-12-11(7-16-18)10(6-9(3)17-12)13(19)15-5-4-14/h6-8H,4-5,14H2,1-3H3,(H,15,19).
What are the key properties of N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).