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

C20H18N6O3 — CID 57377633

IUPACethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18N6O3/c1-3-29-20(28)15-12-21-25(2)17(15)19(27)22-14-9-10-26-16(11-14)23-18(24-26)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,27)
InChIKeyGJBOIHFNNKVKRZ-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.56
Rot. Bonds5

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

ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 57377633) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID57377633
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Nameethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H18N6O3/c1-3-29-20(28)15-12-21-25(2)17(15)19(27)22-14-9-10-26-16(11-14)23-18(24-26)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,27)
InChIKeyGJBOIHFNNKVKRZ-UHFFFAOYSA-N
XLogP2.56
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (CID 57377633) is ethyl 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 ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is GJBOIHFNNKVKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-3-29-20(28)15-12-21-25(2)17(15)19(27)22-14-9-10-26-16(11-14)23-18(24-26)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,27).
What are the key properties of ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 390.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 57377633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).