N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

C20H22N8O4 — CID 67773590

IUPACN-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1[nH]ncc1C(=O)N1CCOCC1)c1ccn2nc(N3CCCC3=O)nc2c1
InChIInChI=1S/C20H22N8O4/c1-25(19(31)17-14(12-21-23-17)18(30)26-7-9-32-10-8-26)13-4-6-28-15(11-13)22-20(24-28)27-5-2-3-16(27)29/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,21,23)
InChIKeyIIUIUNNJRJUZLH-UHFFFAOYSA-N
MW438.45 g/mol
LogP0.33
Rot. Bonds4

About N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide

N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide (PubChem CID 67773590) has the molecular formula C20H22N8O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
PubChem CID67773590
Molecular FormulaC20H22N8O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC NameN-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1[nH]ncc1C(=O)N1CCOCC1)c1ccn2nc(N3CCCC3=O)nc2c1
InChIInChI=1S/C20H22N8O4/c1-25(19(31)17-14(12-21-23-17)18(30)26-7-9-32-10-8-26)13-4-6-28-15(11-13)22-20(24-28)27-5-2-3-16(27)29/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,21,23)
InChIKeyIIUIUNNJRJUZLH-UHFFFAOYSA-N
XLogP0.33
TPSA129.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide (CID 67773590) is N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide is CN(C(=O)c1[nH]ncc1C(=O)N1CCOCC1)c1ccn2nc(N3CCCC3=O)nc2c1.
What is the InChIKey of N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is IIUIUNNJRJUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O4/c1-25(19(31)17-14(12-21-23-17)18(30)26-7-9-32-10-8-26)13-4-6-28-15(11-13)22-20(24-28)27-5-2-3-16(27)29/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,21,23).
What are the key properties of N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide?
N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(morpholine-4-carbonyl)-N-[2-(2-oxopyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67773590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).