methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate

C19H17FN4O3 — CID 99134469

IUPACmethyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c1
InChIInChI=1S/C19H17FN4O3/c1-11-8-12(2)24(23-11)16-5-4-13(9-15(16)20)18(25)22-17-10-14(6-7-21-17)19(26)27-3/h4-10H,1-3H3,(H,21,22,25)
InChIKeyRUQXIPIFVYGPHF-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate

methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate (PubChem CID 99134469) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate
PubChem CID99134469
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Namemethyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c1
InChIInChI=1S/C19H17FN4O3/c1-11-8-12(2)24(23-11)16-5-4-13(9-15(16)20)18(25)22-17-10-14(6-7-21-17)19(26)27-3/h4-10H,1-3H3,(H,21,22,25)
InChIKeyRUQXIPIFVYGPHF-UHFFFAOYSA-N
XLogP3.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate (CID 99134469) is methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)c1.
What is the InChIKey of methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate?
The InChIKey is RUQXIPIFVYGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11-8-12(2)24(23-11)16-5-4-13(9-15(16)20)18(25)22-17-10-14(6-7-21-17)19(26)27-3/h4-10H,1-3H3,(H,21,22,25).
What are the key properties of methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate?
methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate has a molecular weight of 368.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 99134469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).