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

C19H23N5O2 — CID 78876642

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(C)nc3c2cnn3C(C)C)ccn1
InChIInChI=1S/C19H23N5O2/c1-5-26-17-9-14(6-7-20-17)10-21-19(25)15-8-13(4)23-18-16(15)11-22-24(18)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)
InChIKeySYYHIYUDJLDRRL-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.04
Rot. Bonds6

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

N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 78876642) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID78876642
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(C)nc3c2cnn3C(C)C)ccn1
InChIInChI=1S/C19H23N5O2/c1-5-26-17-9-14(6-7-20-17)10-21-19(25)15-8-13(4)23-18-16(15)11-22-24(18)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)
InChIKeySYYHIYUDJLDRRL-UHFFFAOYSA-N
XLogP3.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 78876642) is N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CCOc1cc(CNC(=O)c2cc(C)nc3c2cnn3C(C)C)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SYYHIYUDJLDRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-5-26-17-9-14(6-7-20-17)10-21-19(25)15-8-13(4)23-18-16(15)11-22-24(18)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 78876642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).