N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide

C18H23F2N5O3 — CID 166389193

IUPACN-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc2cnn(C)c2cc1C(=O)NC1CCN(C(=O)C(F)(F)C(C)O)CC1
InChIInChI=1S/C18H23F2N5O3/c1-10-13(8-15-14(22-10)9-21-24(15)3)16(27)23-12-4-6-25(7-5-12)17(28)18(19,20)11(2)26/h8-9,11-12,26H,4-7H2,1-3H3,(H,23,27)
InChIKeyIRVHHRRTFSGAAI-UHFFFAOYSA-N
MW395.41 g/mol
LogP1.01
Rot. Bonds4

About N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide

N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 166389193) has the molecular formula C18H23F2N5O3 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
PubChem CID166389193
Molecular FormulaC18H23F2N5O3
Molecular Weight395.41 g/mol
Exact Mass395.18
IUPAC NameN-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1nc2cnn(C)c2cc1C(=O)NC1CCN(C(=O)C(F)(F)C(C)O)CC1
InChIInChI=1S/C18H23F2N5O3/c1-10-13(8-15-14(22-10)9-21-24(15)3)16(27)23-12-4-6-25(7-5-12)17(28)18(19,20)11(2)26/h8-9,11-12,26H,4-7H2,1-3H3,(H,23,27)
InChIKeyIRVHHRRTFSGAAI-UHFFFAOYSA-N
XLogP1.01
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl)-4-((5-oxopyrrolidin-3-yl)amino)nicotinamide
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4-(((1r,4R)-4-aminocyclo-hexyl)amino)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-((R)-2-fluoro-3-hydroxy-3-methylbutyl) nicotinamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide (CID 166389193) is N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide is Cc1nc2cnn(C)c2cc1C(=O)NC1CCN(C(=O)C(F)(F)C(C)O)CC1.
What is the InChIKey of N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IRVHHRRTFSGAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O3/c1-10-13(8-15-14(22-10)9-21-24(15)3)16(27)23-12-4-6-25(7-5-12)17(28)18(19,20)11(2)26/h8-9,11-12,26H,4-7H2,1-3H3,(H,23,27).
What are the key properties of N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide?
N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoro-3-hydroxybutanoyl)piperidin-4-yl]-1,5-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 166389193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).