1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C21H25N7O3 — CID 157234264

IUPAC1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C21H25N7O3/c1-25-19(16(14-22-25)20(30)26-8-10-31-11-9-26)17(29)12-15-4-7-28-18(13-15)23-21(24-28)27-5-2-3-6-27/h4,7,13-14H,2-3,5-6,8-12H2,1H3
InChIKeyAULLXDBTGNGVOX-UHFFFAOYSA-N
MW423.48 g/mol
LogP0.96
Rot. Bonds5

About 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 157234264) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID157234264
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCn1ncc(C(=O)N2CCOCC2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C21H25N7O3/c1-25-19(16(14-22-25)20(30)26-8-10-31-11-9-26)17(29)12-15-4-7-28-18(13-15)23-21(24-28)27-5-2-3-6-27/h4,7,13-14H,2-3,5-6,8-12H2,1H3
InChIKeyAULLXDBTGNGVOX-UHFFFAOYSA-N
XLogP0.96
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 157234264) is 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1.
What is the InChIKey of 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is AULLXDBTGNGVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-25-19(16(14-22-25)20(30)26-8-10-31-11-9-26)17(29)12-15-4-7-28-18(13-15)23-21(24-28)27-5-2-3-6-27/h4,7,13-14H,2-3,5-6,8-12H2,1H3.
What are the key properties of 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 423.48 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 157234264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).