tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate

C17H22F2N4O2 — CID 176896834

IUPACtert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(N3CCC(F)(F)CC3)c2c1
InChIInChI=1S/C17H22F2N4O2/c1-16(2,3)25-15(24)21-12-4-7-23-13(10-12)14(11-20-23)22-8-5-17(18,19)6-9-22/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,24)
InChIKeyWQYOVHPXGRUECD-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.92
Rot. Bonds2

About tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate

tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate (PubChem CID 176896834) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate
PubChem CID176896834
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Nametert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(N3CCC(F)(F)CC3)c2c1
InChIInChI=1S/C17H22F2N4O2/c1-16(2,3)25-15(24)21-12-4-7-23-13(10-12)14(11-20-23)22-8-5-17(18,19)6-9-22/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,24)
InChIKeyWQYOVHPXGRUECD-UHFFFAOYSA-N
XLogP3.92
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[1-(pyridin-4-yl)-1H-[1,2,3]triazol-4-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 44588462
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 56780363
tert-butyl((S)-1-(4-(1-(difluoromethyl)-4-((R)-2-methylbut-3-enamido)-1H-pyrazol-5-yl)pyridin-2-yl)but-3-en-1-yl)carbamate
CID 131746981
Tert-butyl 4-[6-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264016
Tert-butyl 4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264211
(3,3-Difluorocyclobutyl) 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264267
Tert-butyl 4-[6-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264373
US20240360157, Example 28
CID 172477289
1,1-Dimethylethyl 4-(1H-pyrrolo[3,2-b]pyridin-7-yl)-1-piperazinecarboxylate
CID 69556727
methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
CID 126841562
tert-butyl 4-[(2S)-2-[(1,5-dimethylpyrazol-4-yl)amino]-2-pyridin-3-ylethyl]piperidine-1-carboxylate
CID 164633201
[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate (CID 176896834) is tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate is CC(C)(C)OC(=O)Nc1ccn2ncc(N3CCC(F)(F)CC3)c2c1.
What is the InChIKey of tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate?
The InChIKey is WQYOVHPXGRUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-16(2,3)25-15(24)21-12-4-7-23-13(10-12)14(11-20-23)22-8-5-17(18,19)6-9-22/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate?
tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]carbamate is sourced from PubChem (CID 176896834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).