N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C16H18N4O2 — CID 18132141

IUPACN-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccco1
InChIInChI=1S/C16H18N4O2/c1-10(2)20-15-12(9-18-20)7-13(8-17-15)16(21)19-11(3)14-5-4-6-22-14/h4-11H,1-3H3,(H,19,21)
InChIKeyGLROGEHEWHGUDU-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 18132141) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID18132141
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccco1
InChIInChI=1S/C16H18N4O2/c1-10(2)20-15-12(9-18-20)7-13(8-17-15)16(21)19-11(3)14-5-4-6-22-14/h4-11H,1-3H3,(H,19,21)
InChIKeyGLROGEHEWHGUDU-UHFFFAOYSA-N
XLogP3.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 18132141) is N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GLROGEHEWHGUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)20-15-12(9-18-20)7-13(8-17-15)16(21)19-11(3)14-5-4-6-22-14/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 18132141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).