1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide

C22H24FN5O2 — CID 26956252

IUPAC1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cnc21
InChIInChI=1S/C22H24FN5O2/c1-14(2)28-20-17(12-25-28)11-19(13-24-20)26-21(29)15-7-9-27(10-8-15)22(30)16-3-5-18(23)6-4-16/h3-6,11-15H,7-10H2,1-2H3,(H,26,29)
InChIKeyFXGHSOBZKIKAMT-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide (PubChem CID 26956252) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
PubChem CID26956252
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cnc21
InChIInChI=1S/C22H24FN5O2/c1-14(2)28-20-17(12-25-28)11-19(13-24-20)26-21(29)15-7-9-27(10-8-15)22(30)16-3-5-18(23)6-4-16/h3-6,11-15H,7-10H2,1-2H3,(H,26,29)
InChIKeyFXGHSOBZKIKAMT-UHFFFAOYSA-N
XLogP3.64
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26956251
2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopentane-1-carboxamide
CID 64822861
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-2-carboxamide
CID 61258312
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26208676
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
1-[2-(4-fluorophenyl)ethyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 47040134
(3S)-6-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 27698154
1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
CID 70644372

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide (CID 26956252) is 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide is CC(C)n1ncc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cnc21.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
The InChIKey is FXGHSOBZKIKAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-14(2)28-20-17(12-25-28)11-19(13-24-20)26-21(29)15-7-9-27(10-8-15)22(30)16-3-5-18(23)6-4-16/h3-6,11-15H,7-10H2,1-2H3,(H,26,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26956252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).