ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate

C19H17N7O3 — CID 165414953

IUPACethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1
InChIInChI=1S/C19H17N7O3/c1-3-29-19(28)14-11-21-25(2)16(14)18(27)22-13-6-8-26-15(9-13)23-17(24-26)12-5-4-7-20-10-12/h4-11H,3H2,1-2H3,(H,22,27)
InChIKeyCSNQMBVUTJSCIZ-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.95
Rot. Bonds5

About ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (PubChem CID 165414953) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
PubChem CID165414953
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Nameethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1
InChIInChI=1S/C19H17N7O3/c1-3-29-19(28)14-11-21-25(2)16(14)18(27)22-13-6-8-26-15(9-13)23-17(24-26)12-5-4-7-20-10-12/h4-11H,3H2,1-2H3,(H,22,27)
InChIKeyCSNQMBVUTJSCIZ-UHFFFAOYSA-N
XLogP1.95
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate (CID 165414953) is ethyl 1-methyl-5-[(2-pyridin-3-yl-[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-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1.
What is the InChIKey of ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
The InChIKey is CSNQMBVUTJSCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c1-3-29-19(28)14-11-21-25(2)16(14)18(27)22-13-6-8-26-15(9-13)23-17(24-26)12-5-4-7-20-10-12/h4-11H,3H2,1-2H3,(H,22,27).
What are the key properties of ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate has a molecular weight of 391.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 165414953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).