2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile

C19H20N6 — CID 177325227

IUPAC2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile
SMILESCCc1cc(-c2cc(C#N)ccn2)n2ncnc(N3CCCCC3)c12
InChIInChI=1S/C19H20N6/c1-2-15-11-17(16-10-14(12-20)6-7-21-16)25-18(15)19(22-13-23-25)24-8-4-3-5-9-24/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyZDLMEISGNPREJD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.22
Rot. Bonds3

About 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile

2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile (PubChem CID 177325227) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile
PubChem CID177325227
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile
SMILESCCc1cc(-c2cc(C#N)ccn2)n2ncnc(N3CCCCC3)c12
InChIInChI=1S/C19H20N6/c1-2-15-11-17(16-10-14(12-20)6-7-21-16)25-18(15)19(22-13-23-25)24-8-4-3-5-9-24/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyZDLMEISGNPREJD-UHFFFAOYSA-N
XLogP3.22
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Amdizalisib
CID 118981804
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44545901
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile (CID 177325227) is 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile is CCc1cc(-c2cc(C#N)ccn2)n2ncnc(N3CCCCC3)c12.
What is the InChIKey of 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile?
The InChIKey is ZDLMEISGNPREJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-2-15-11-17(16-10-14(12-20)6-7-21-16)25-18(15)19(22-13-23-25)24-8-4-3-5-9-24/h6-7,10-11,13H,2-5,8-9H2,1H3.
What are the key properties of 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile?
2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile has a molecular weight of 332.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 177325227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).