methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate

C23H24FN3O2 — CID 137374269

IUPACmethyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(-c2ncccc2-c2cnn(CC3(F)CCCC3)c2)ccc1C
InChIInChI=1S/C23H24FN3O2/c1-16-7-8-17(12-20(16)22(28)29-2)21-19(6-5-11-25-21)18-13-26-27(14-18)15-23(24)9-3-4-10-23/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyCNBGTEXQCLTHQC-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.99
Rot. Bonds5

About methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate

methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate (PubChem CID 137374269) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate
PubChem CID137374269
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Namemethyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(-c2ncccc2-c2cnn(CC3(F)CCCC3)c2)ccc1C
InChIInChI=1S/C23H24FN3O2/c1-16-7-8-17(12-20(16)22(28)29-2)21-19(6-5-11-25-21)18-13-26-27(14-18)15-23(24)9-3-4-10-23/h5-8,11-14H,3-4,9-10,15H2,1-2H3
InChIKeyCNBGTEXQCLTHQC-UHFFFAOYSA-N
XLogP4.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoate
CID 11508699
4-methyl-5-[2-[1-(1-oxo-3H-2-benzofuran-5-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethyl]-3H-2-benzofuran-1-one
CID 118189030
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770112
Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzoate
CID 168280421
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
2-Cyclopentyl-4-pyrazolo[1,5-a]pyridin-3-ylbenzoic acid
CID 164611198
2,2,2-Trifluoroethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 164616135
2-Cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
CID 164617874
US10501449, Example 127-I
CID 137350966
4-[[Oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester
CID 2140163
Ethyl 4-[1-(pyridin-4-ylmethyl)indazol-3-yl]benzoate
CID 44451896

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate (CID 137374269) is methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate is COC(=O)c1cc(-c2ncccc2-c2cnn(CC3(F)CCCC3)c2)ccc1C.
What is the InChIKey of methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate?
The InChIKey is CNBGTEXQCLTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-16-7-8-17(12-20(16)22(28)29-2)21-19(6-5-11-25-21)18-13-26-27(14-18)15-23(24)9-3-4-10-23/h5-8,11-14H,3-4,9-10,15H2,1-2H3.
What are the key properties of methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate?
methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate has a molecular weight of 393.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methylbenzoate is sourced from PubChem (CID 137374269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).