N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide

C17H21F2N5O2 — CID 167837739

IUPACN-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CCn2ncc(-c3nc(CC4CC(F)(F)C4)no3)c2C1
InChIInChI=1S/C17H21F2N5O2/c1-10(25)20-8-11-2-3-24-14(4-11)13(9-21-24)16-22-15(23-26-16)5-12-6-17(18,19)7-12/h9,11-12H,2-8H2,1H3,(H,20,25)
InChIKeyMRTYPLPIQJGNIW-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.22
Rot. Bonds5

About N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide

N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide (PubChem CID 167837739) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
PubChem CID167837739
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC NameN-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CCn2ncc(-c3nc(CC4CC(F)(F)C4)no3)c2C1
InChIInChI=1S/C17H21F2N5O2/c1-10(25)20-8-11-2-3-24-14(4-11)13(9-21-24)16-22-15(23-26-16)5-12-6-17(18,19)7-12/h9,11-12H,2-8H2,1H3,(H,20,25)
InChIKeyMRTYPLPIQJGNIW-UHFFFAOYSA-N
XLogP2.22
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(acetamidomethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 112756606
5-(acetamidomethyl)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 154754463
5-(acetamidomethyl)-N-[(5-cyclopropyl-2-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166235767
5-(acetamidomethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128973814
5-(acetamidomethyl)-N-[(5-methyl-1,3-benzothiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166250152
5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 119030880
(5R)-5-(acetamidomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129478908
N-[[3-(4-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide
CID 167890969
5-(acetamidomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128991628
(5S)-5-(acetamidomethyl)-N-(5-cyano-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129479402
5-(acetamidomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166225358
(5R)-N-propan-2-yl-5-[(thiophene-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129324176

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide (CID 167837739) is N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide is CC(=O)NCC1CCn2ncc(-c3nc(CC4CC(F)(F)C4)no3)c2C1.
What is the InChIKey of N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
The InChIKey is MRTYPLPIQJGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-10(25)20-8-11-2-3-24-14(4-11)13(9-21-24)16-22-15(23-26-16)5-12-6-17(18,19)7-12/h9,11-12H,2-8H2,1H3,(H,20,25).
What are the key properties of N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide?
N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide has a molecular weight of 365.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-[(3,3-difluorocyclobutyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 167837739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).