1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C21H22N8O3 — CID 89464526

IUPAC1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1ncc(C(=O)N2CCCC2)c1C(=O)O.Nc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C11H9N5.C10H13N3O3/c12-9-3-4-10-14-11(15-16(10)7-9)8-2-1-5-13-6-8;1-12-8(10(15)16)7(6-11-12)9(14)13-4-2-3-5-13/h1-7H,12H2;6H,2-5H2,1H3,(H,15,16)
InChIKeyBEQUGPXHQLOLCR-UHFFFAOYSA-N
MW434.46 g/mol
LogP1.73
Rot. Bonds3

About 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine

1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 89464526) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID89464526
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1ncc(C(=O)N2CCCC2)c1C(=O)O.Nc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C11H9N5.C10H13N3O3/c12-9-3-4-10-14-11(15-16(10)7-9)8-2-1-5-13-6-8;1-12-8(10(15)16)7(6-11-12)9(14)13-4-2-3-5-13/h1-7H,12H2;6H,2-5H2,1H3,(H,15,16)
InChIKeyBEQUGPXHQLOLCR-UHFFFAOYSA-N
XLogP1.73
TPSA144.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 89464526) is 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cn1ncc(C(=O)N2CCCC2)c1C(=O)O.Nc1ccc2nc(-c3cccnc3)nn2c1.
What is the InChIKey of 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is BEQUGPXHQLOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5.C10H13N3O3/c12-9-3-4-10-14-11(15-16(10)7-9)8-2-1-5-13-6-8;1-12-8(10(15)16)7(6-11-12)9(14)13-4-2-3-5-13/h1-7H,12H2;6H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 434.46 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 89464526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).