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

C20H24N8O3 — CID 57377955

IUPAC1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCCC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-5-2-3-6-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-8-10-31-11-9-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29)
InChIKeyYDKFYQUWRVMCCE-UHFFFAOYSA-N
MW424.47 g/mol
LogP0.79
Rot. Bonds4

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

1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (PubChem CID 57377955) has the molecular formula C20H24N8O3 and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
PubChem CID57377955
Molecular FormulaC20H24N8O3
Molecular Weight424.47 g/mol
Exact Mass424.20
IUPAC Name1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCCC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1
InChIInChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-5-2-3-6-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-8-10-31-11-9-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29)
InChIKeyYDKFYQUWRVMCCE-UHFFFAOYSA-N
XLogP0.79
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (CID 57377955) is 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCCC2)c1C(=O)Nc1ccn2nc(N3CCOCC3)nc2c1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The InChIKey is YDKFYQUWRVMCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-5-2-3-6-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-8-10-31-11-9-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29).
What are the key properties of 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).