3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid

C18H17FN6O3 — CID 170351765

IUPAC3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid
SMILESCC(=O)Nc1cc2c(cn1)c(C)nn2-c1cccc(C2(F)CN(C(=O)O)C2)n1
InChIInChI=1S/C18H17FN6O3/c1-10-12-7-20-15(21-11(2)26)6-13(12)25(23-10)16-5-3-4-14(22-16)18(19)8-24(9-18)17(27)28/h3-7H,8-9H2,1-2H3,(H,27,28)(H,20,21,26)
InChIKeyOARAAQLDRPYABK-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.24
Rot. Bonds3

About 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid

3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid (PubChem CID 170351765) has the molecular formula C18H17FN6O3 and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid
PubChem CID170351765
Molecular FormulaC18H17FN6O3
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid
SMILESCC(=O)Nc1cc2c(cn1)c(C)nn2-c1cccc(C2(F)CN(C(=O)O)C2)n1
InChIInChI=1S/C18H17FN6O3/c1-10-12-7-20-15(21-11(2)26)6-13(12)25(23-10)16-5-3-4-14(22-16)18(19)8-24(9-18)17(27)28/h3-7H,8-9H2,1-2H3,(H,27,28)(H,20,21,26)
InChIKeyOARAAQLDRPYABK-UHFFFAOYSA-N
XLogP2.24
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid with MolForge

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Related Compounds

N-[3-cyclopropyl-1-[2-(3-fluorooxetan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577310
N-[3-cyclopropyl-1-[6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170425124
N-[1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577665
N-[3-cyclopentyl-1-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 177282193
N-[1-[4-(difluoromethyl)-6-[(3S)-3-methoxyoxolan-3-yl]-2-pyridinyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 163377403
N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577557
N-[3-bromo-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170351719
N-[1-[6-(3-hydroxyoxetan-3-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577104
N-[3-cyclopropyl-1-[6-[(3R)-oxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170425127
N-[3-cyclopropyl-1-[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576913
N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577482
N-[3-(3-cyano-3-ethylazetidin-1-yl)-1-[6-(1,1-difluoroethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577822

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid?
The IUPAC name of 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid (CID 170351765) is 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid.
What is the SMILES notation for 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid?
The canonical SMILES for 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid is CC(=O)Nc1cc2c(cn1)c(C)nn2-c1cccc(C2(F)CN(C(=O)O)C2)n1.
What is the InChIKey of 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid?
The InChIKey is OARAAQLDRPYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O3/c1-10-12-7-20-15(21-11(2)26)6-13(12)25(23-10)16-5-3-4-14(22-16)18(19)8-24(9-18)17(27)28/h3-7H,8-9H2,1-2H3,(H,27,28)(H,20,21,26).
What are the key properties of 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid?
3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid has a molecular weight of 384.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-acetamido-3-methylpyrazolo[4,3-c]pyridin-1-yl)-2-pyridinyl]-3-fluoroazetidine-1-carboxylic acid is sourced from PubChem (CID 170351765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).