methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate

C20H24N8O5 — CID 67776259

IUPACmethyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C20H24N8O5/c1-25(12-16(29)32-3)19(31)14-11-21-26(2)17(14)18(30)22-13-4-5-28-15(10-13)23-20(24-28)27-6-8-33-9-7-27/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,30)
InChIKeyISRFNFUHCCEWGY-UHFFFAOYSA-N
MW456.46 g/mol
LogP-0.20
Rot. Bonds6

About methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate

methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate (PubChem CID 67776259) has the molecular formula C20H24N8O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate
PubChem CID67776259
Molecular FormulaC20H24N8O5
Molecular Weight456.46 g/mol
Exact Mass456.19
IUPAC Namemethyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C20H24N8O5/c1-25(12-16(29)32-3)19(31)14-11-21-26(2)17(14)18(30)22-13-4-5-28-15(10-13)23-20(24-28)27-6-8-33-9-7-27/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,30)
InChIKeyISRFNFUHCCEWGY-UHFFFAOYSA-N
XLogP-0.20
TPSA136.19 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate (CID 67776259) is methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate?
The InChIKey is ISRFNFUHCCEWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O5/c1-25(12-16(29)32-3)19(31)14-11-21-26(2)17(14)18(30)22-13-4-5-28-15(10-13)23-20(24-28)27-6-8-33-9-7-27/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,30).
What are the key properties of methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate?
methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate has a molecular weight of 456.46 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[1-methyl-5-[(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 67776259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).