6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile

C19H20N8 — CID 166967953

IUPAC6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile
SMILES[H]/N=C(\[C@@H]1C[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C)n1/c(=N/[H])cnc2[nH]ccc21
InChIInChI=1S/C19H20N8/c1-11-6-13(26-17-3-2-12(8-20)9-24-17)7-14(11)18(22)27-15-4-5-23-19(15)25-10-16(27)21/h2-5,9-11,13-14,21-23H,6-7H2,1H3,(H,24,26)/b21-16+,22-18+/t11-,13+,14+/m0/s1
InChIKeyPPZNOUMCPDXGFP-BAFQNPLGSA-N
MW360.43 g/mol
LogP2.46
Rot. Bonds3

About 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile

6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile (PubChem CID 166967953) has the molecular formula C19H20N8 and a molecular weight of 360.43 g/mol. Its IUPAC name is 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile
PubChem CID166967953
Molecular FormulaC19H20N8
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile
SMILES[H]/N=C(\[C@@H]1C[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C)n1/c(=N/[H])cnc2[nH]ccc21
InChIInChI=1S/C19H20N8/c1-11-6-13(26-17-3-2-12(8-20)9-24-17)7-14(11)18(22)27-15-4-5-23-19(15)25-10-16(27)21/h2-5,9-11,13-14,21-23H,6-7H2,1H3,(H,24,26)/b21-16+,22-18+/t11-,13+,14+/m0/s1
InChIKeyPPZNOUMCPDXGFP-BAFQNPLGSA-N
XLogP2.46
TPSA130.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile 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 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile (CID 166967953) is 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile is [H]/N=C(\[C@@H]1C[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C)n1/c(=N/[H])cnc2[nH]ccc21.
What is the InChIKey of 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile?
The InChIKey is PPZNOUMCPDXGFP-BAFQNPLGSA-N. The full InChI is InChI=1S/C19H20N8/c1-11-6-13(26-17-3-2-12(8-20)9-24-17)7-14(11)18(22)27-15-4-5-23-19(15)25-10-16(27)21/h2-5,9-11,13-14,21-23H,6-7H2,1H3,(H,24,26)/b21-16+,22-18+/t11-,13+,14+/m0/s1.
What are the key properties of 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile?
6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile has a molecular weight of 360.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,3R,4S)-3-(2-imino-5H-pyrrolo[2,3-b]pyrazine-1-carboximidoyl)-4-methylcyclopentyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 166967953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).