2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide

C20H17F4N5O — CID 118560675

IUPAC2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(N2CC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H17F4N5O/c21-15-3-1-14(7-16(15)22)10-29-6-5-17(27-29)26-19(30)8-13-2-4-18(25-9-13)28-11-20(23,24)12-28/h1-7,9H,8,10-12H2,(H,26,27,30)
InChIKeyGDTXFDWNNZVZGQ-UHFFFAOYSA-N
MW419.38 g/mol
LogP3.24
Rot. Bonds6

About 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide

2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 118560675) has the molecular formula C20H17F4N5O and a molecular weight of 419.38 g/mol. Its IUPAC name is 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID118560675
Molecular FormulaC20H17F4N5O
Molecular Weight419.38 g/mol
Exact Mass419.14
IUPAC Name2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccc(N2CC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H17F4N5O/c21-15-3-1-14(7-16(15)22)10-29-6-5-17(27-29)26-19(30)8-13-2-4-18(25-9-13)28-11-20(23,24)12-28/h1-7,9H,8,10-12H2,(H,26,27,30)
InChIKeyGDTXFDWNNZVZGQ-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 126740678
2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
CID 118962082
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,3-difluorocyclobutyl)methoxy]phenyl]acetamide
CID 118560311
N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560586
N-[2-[(4-cyano-3-fluorophenyl)methyl]triazol-4-yl]-2-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 118962189
N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
N-[1-[(3-cyano-4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-cyanopropan-2-yl)phenyl]acetamide
CID 118560452
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 118560230
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 126740614

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 118560675) is 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cc1ccc(N2CC(F)(F)C2)nc1)Nc1ccn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is GDTXFDWNNZVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O/c21-15-3-1-14(7-16(15)22)10-29-6-5-17(27-29)26-19(30)8-13-2-4-18(25-9-13)28-11-20(23,24)12-28/h1-7,9H,8,10-12H2,(H,26,27,30).
What are the key properties of 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 419.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 118560675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).