[5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid

C16H10ClF2N3O3 — CID 123786834

IUPAC[5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(=O)c1c(-c2ccc(F)cc2)nn2c(F)cc(Cl)cc12
InChIInChI=1S/C16H10ClF2N3O3/c1-21(16(24)25)15(23)13-11-6-9(17)7-12(19)22(11)20-14(13)8-2-4-10(18)5-3-8/h2-7H,1H3,(H,24,25)
InChIKeyYOWYEGGTPHFHHD-UHFFFAOYSA-N
MW365.72 g/mol
LogP3.68
Rot. Bonds2

About [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid

[5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid (PubChem CID 123786834) has the molecular formula C16H10ClF2N3O3 and a molecular weight of 365.72 g/mol. Its IUPAC name is [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid.

Molecular Properties

Compound Name[5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid
PubChem CID123786834
Molecular FormulaC16H10ClF2N3O3
Molecular Weight365.72 g/mol
Exact Mass365.04
IUPAC Name[5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(=O)c1c(-c2ccc(F)cc2)nn2c(F)cc(Cl)cc12
InChIInChI=1S/C16H10ClF2N3O3/c1-21(16(24)25)15(23)13-11-6-9(17)7-12(19)22(11)20-14(13)8-2-4-10(18)5-3-8/h2-7H,1H3,(H,24,25)
InChIKeyYOWYEGGTPHFHHD-UHFFFAOYSA-N
XLogP3.68
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-6-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid
CID 123952022
3-[7-fluoro-2-(4-fluorophenyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
CID 59233833
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
CID 171619043
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
1-(4-chlorophenyl)-3-(4-fluorophenyl)-5-propylpyrazole-4-carboxylic acid
CID 3796958
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]prop-2-en-1-one
CID 11301343
N-benzyl-1-ethyl-3-(4-fluorophenyl)-N-methyl-4-pyridin-4-ylpyrazole-5-carboxamide
CID 57467732
2-[5-chloro-2-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869717
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 11501715
(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 15870546
[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-phenylmethanone
CID 134851224
ethyl 2-(4-fluorophenyl)-5,7-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
CID 54289817

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid?
The IUPAC name of [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid (CID 123786834) is [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid.
What is the SMILES notation for [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid?
The canonical SMILES for [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid is CN(C(=O)O)C(=O)c1c(-c2ccc(F)cc2)nn2c(F)cc(Cl)cc12.
What is the InChIKey of [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid?
The InChIKey is YOWYEGGTPHFHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O3/c1-21(16(24)25)15(23)13-11-6-9(17)7-12(19)22(11)20-14(13)8-2-4-10(18)5-3-8/h2-7H,1H3,(H,24,25).
What are the key properties of [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid?
[5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid has a molecular weight of 365.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid is sourced from PubChem (CID 123786834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).