methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate

C19H16N6O3 — CID 57378953

IUPACmethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H16N6O3/c1-24-16(14(11-20-24)19(27)28-2)18(26)21-13-8-9-25-15(10-13)22-17(23-25)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,26)
InChIKeyFKHYRDVFIFJRQJ-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.17
Rot. Bonds4

About methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate

methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 57378953) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID57378953
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Namemethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H16N6O3/c1-24-16(14(11-20-24)19(27)28-2)18(26)21-13-8-9-25-15(10-13)22-17(23-25)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,26)
InChIKeyFKHYRDVFIFJRQJ-UHFFFAOYSA-N
XLogP2.17
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (CID 57378953) is methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is COC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is FKHYRDVFIFJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-24-16(14(11-20-24)19(27)28-2)18(26)21-13-8-9-25-15(10-13)22-17(23-25)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,26).
What are the key properties of methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 57378953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).