(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H24N8O — CID 70739574

IUPAC(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21
InChIInChI=1S/C20H24N8O/c1-26-19-17(24-25-26)10-15(12-21-19)20(29)28-8-4-14(5-9-28)16-11-18(23-13-22-16)27-6-2-3-7-27/h10-14H,2-9H2,1H3
InChIKeyCMIXLYOAYZCSLJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.77
Rot. Bonds3

About (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 70739574) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID70739574
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21
InChIInChI=1S/C20H24N8O/c1-26-19-17(24-25-26)10-15(12-21-19)20(29)28-8-4-14(5-9-28)16-11-18(23-13-22-16)27-6-2-3-7-27/h10-14H,2-9H2,1H3
InChIKeyCMIXLYOAYZCSLJ-UHFFFAOYSA-N
XLogP1.77
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 70739574) is (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is Cn1nnc2cc(C(=O)N3CCC(c4cc(N5CCCC5)ncn4)CC3)cnc21.
What is the InChIKey of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is CMIXLYOAYZCSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-26-19-17(24-25-26)10-15(12-21-19)20(29)28-8-4-14(5-9-28)16-11-18(23-13-22-16)27-6-2-3-7-27/h10-14H,2-9H2,1H3.
What are the key properties of (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 392.47 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazolo[4,5-b]pyridin-6-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70739574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).