N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H24N4O2 — CID 97100530

IUPACN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3c2cnn3C)C12CCC2
InChIInChI=1S/C18H24N4O2/c1-4-24-15-9-14(18(15)6-5-7-18)21-17(23)12-8-11(2)20-16-13(12)10-19-22(16)3/h8,10,14-15H,4-7,9H2,1-3H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyFYXXMSGWTWQNPQ-HUUCEWRRSA-N
MW328.42 g/mol
LogP2.35
Rot. Bonds4

About N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 97100530) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID97100530
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3c2cnn3C)C12CCC2
InChIInChI=1S/C18H24N4O2/c1-4-24-15-9-14(18(15)6-5-7-18)21-17(23)12-8-11(2)20-16-13(12)10-19-22(16)3/h8,10,14-15H,4-7,9H2,1-3H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyFYXXMSGWTWQNPQ-HUUCEWRRSA-N
XLogP2.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 97100530) is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)c2cc(C)nc3c2cnn3C)C12CCC2.
What is the InChIKey of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is FYXXMSGWTWQNPQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-24-15-9-14(18(15)6-5-7-18)21-17(23)12-8-11(2)20-16-13(12)10-19-22(16)3/h8,10,14-15H,4-7,9H2,1-3H3,(H,21,23)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 97100530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).