5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde

C18H24N8O2 — CID 123993113

IUPAC5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILES[H]/N=C/C(CNCCO)C1=CN=C(N)C(NCc2ccn3ncc(C=O)c3c2)N1
InChIInChI=1S/C18H24N8O2/c19-6-13(8-21-2-4-27)15-10-22-17(20)18(25-15)23-7-12-1-3-26-16(5-12)14(11-28)9-24-26/h1,3,5-6,9-11,13,18-19,21,23,25,27H,2,4,7-8H2,(H2,20,22)/b19-6+
InChIKeyLGQJNCUFKFXCKV-KPSZGOFPSA-N
MW384.44 g/mol
LogP-0.79
Rot. Bonds10

About 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde

5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 123993113) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID123993113
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILES[H]/N=C/C(CNCCO)C1=CN=C(N)C(NCc2ccn3ncc(C=O)c3c2)N1
InChIInChI=1S/C18H24N8O2/c19-6-13(8-21-2-4-27)15-10-22-17(20)18(25-15)23-7-12-1-3-26-16(5-12)14(11-28)9-24-26/h1,3,5-6,9-11,13,18-19,21,23,25,27H,2,4,7-8H2,(H2,20,22)/b19-6+
InChIKeyLGQJNCUFKFXCKV-KPSZGOFPSA-N
XLogP-0.79
TPSA152.92 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde 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 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 123993113) is 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is [H]/N=C/C(CNCCO)C1=CN=C(N)C(NCc2ccn3ncc(C=O)c3c2)N1.
What is the InChIKey of 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is LGQJNCUFKFXCKV-KPSZGOFPSA-N. The full InChI is InChI=1S/C18H24N8O2/c19-6-13(8-21-2-4-27)15-10-22-17(20)18(25-15)23-7-12-1-3-26-16(5-12)14(11-28)9-24-26/h1,3,5-6,9-11,13,18-19,21,23,25,27H,2,4,7-8H2,(H2,20,22)/b19-6+.
What are the key properties of 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 384.44 g/mol, XLogP of -0.79, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-amino-6-[1-(2-hydroxyethylamino)-3-iminopropan-2-yl]-1,2-dihydropyrazin-2-yl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 123993113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).