3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C18H18N6 — CID 56899043

IUPAC3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3CCCN(c4ccc5cc[nH]c5n4)C3)nnc2c1
InChIInChI=1S/C18H18N6/c1-2-11-24-16(5-1)21-22-18(24)14-4-3-10-23(12-14)15-7-6-13-8-9-19-17(13)20-15/h1-2,5-9,11,14H,3-4,10,12H2,(H,19,20)
InChIKeyPOSUNQOYAGVVDL-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.99
Rot. Bonds2

About 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 56899043) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID56899043
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3CCCN(c4ccc5cc[nH]c5n4)C3)nnc2c1
InChIInChI=1S/C18H18N6/c1-2-11-24-16(5-1)21-22-18(24)14-4-3-10-23(12-14)15-7-6-13-8-9-19-17(13)20-15/h1-2,5-9,11,14H,3-4,10,12H2,(H,19,20)
InChIKeyPOSUNQOYAGVVDL-UHFFFAOYSA-N
XLogP2.99
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine 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-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 56899043) is 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(C3CCCN(c4ccc5cc[nH]c5n4)C3)nnc2c1.
What is the InChIKey of 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is POSUNQOYAGVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-2-11-24-16(5-1)21-22-18(24)14-4-3-10-23(12-14)15-7-6-13-8-9-19-17(13)20-15/h1-2,5-9,11,14H,3-4,10,12H2,(H,19,20).
What are the key properties of 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 318.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 56899043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).