2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol

C27H31N9O6 — CID 121421021

IUPAC2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCOCCO)nn3ccccc23)N=C1Nc1c(OCCOCCO)nn2ccccc12
InChIInChI=1S/C27H31N9O6/c28-18-17-19(29)25(31-23-21-6-2-4-8-36(21)34-27(23)42-16-14-40-12-10-38)32-24(18)30-22-20-5-1-3-7-35(20)33-26(22)41-15-13-39-11-9-37/h1-8,17,28,37-38H,9-16,29H2,(H,30,31,32)/b28-18+
InChIKeyGCCMAMZGNNFWHJ-MTDXEUNCSA-N
MW577.60 g/mol
LogP1.17
Rot. Bonds14

About 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol

2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol (PubChem CID 121421021) has the molecular formula C27H31N9O6 and a molecular weight of 577.60 g/mol. Its IUPAC name is 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol
PubChem CID121421021
Molecular FormulaC27H31N9O6
Molecular Weight577.60 g/mol
Exact Mass577.24
IUPAC Name2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCOCCO)nn3ccccc23)N=C1Nc1c(OCCOCCO)nn2ccccc12
InChIInChI=1S/C27H31N9O6/c28-18-17-19(29)25(31-23-21-6-2-4-8-36(21)34-27(23)42-16-14-40-12-10-38)32-24(18)30-22-20-5-1-3-7-35(20)33-26(22)41-15-13-39-11-9-37/h1-8,17,28,37-38H,9-16,29H2,(H,30,31,32)/b28-18+
InChIKeyGCCMAMZGNNFWHJ-MTDXEUNCSA-N
XLogP1.17
TPSA198.60 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.60
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol (CID 121421021) is 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol is [H]/N=C1\C=C(N)/C(=N/c2c(OCCOCCO)nn3ccccc23)N=C1Nc1c(OCCOCCO)nn2ccccc12.
What is the InChIKey of 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol?
The InChIKey is GCCMAMZGNNFWHJ-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H31N9O6/c28-18-17-19(29)25(31-23-21-6-2-4-8-36(21)34-27(23)42-16-14-40-12-10-38)32-24(18)30-22-20-5-1-3-7-35(20)33-26(22)41-15-13-39-11-9-37/h1-8,17,28,37-38H,9-16,29H2,(H,30,31,32)/b28-18+.
What are the key properties of 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol?
2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol has a molecular weight of 577.60 g/mol, XLogP of 1.17, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[5-amino-6-[2-[2-(2-hydroxyethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethoxy]ethanol is sourced from PubChem (CID 121421021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).