3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol

C25H27N9O4 — CID 121421016

IUPAC3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCCO)nn3ccccc23)N=C1Nc1c(OCCCO)nn2ccccc12
InChIInChI=1S/C25H27N9O4/c26-16-15-17(27)23(29-21-19-8-2-4-10-34(19)32-25(21)38-14-6-12-36)30-22(16)28-20-18-7-1-3-9-33(18)31-24(20)37-13-5-11-35/h1-4,7-10,15,26,35-36H,5-6,11-14,27H2,(H,28,29,30)/b26-16+
InChIKeyFDMJFMZDSDWAME-WGOQTCKBSA-N
MW517.55 g/mol
LogP1.92
Rot. Bonds10

About 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol

3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol (PubChem CID 121421016) has the molecular formula C25H27N9O4 and a molecular weight of 517.55 g/mol. Its IUPAC name is 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol
PubChem CID121421016
Molecular FormulaC25H27N9O4
Molecular Weight517.55 g/mol
Exact Mass517.22
IUPAC Name3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCCO)nn3ccccc23)N=C1Nc1c(OCCCO)nn2ccccc12
InChIInChI=1S/C25H27N9O4/c26-16-15-17(27)23(29-21-19-8-2-4-10-34(19)32-25(21)38-14-6-12-36)30-22(16)28-20-18-7-1-3-9-33(18)31-24(20)37-13-5-11-35/h1-4,7-10,15,26,35-36H,5-6,11-14,27H2,(H,28,29,30)/b26-16+
InChIKeyFDMJFMZDSDWAME-WGOQTCKBSA-N
XLogP1.92
TPSA180.14 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.55
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol with MolForge

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Related Compounds

2-((3-Aminopyrazolo(1,5-a)pyridin-2-yl)oxy)ethanol hydrochloride (1:1)
CID 66922788
2-(3-Aminopyrazolo[1,5-a]pyridin-2-yl)oxyethanol
CID 57507669
2-[6-Amino-4-imino-3-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-1,5-dien-1-yl]oxyethanol
CID 57467854
2-[2-(1-Methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57469281
2-[3-[2-(3-Aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl]imidazol-1-ium-1-yl]ethanol
CID 57507685
2-[2-(1-Methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57507686
2-[2-(4-Methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57507687
2-(3-Aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium
CID 57507689
2-[3-(3-Methylimidazol-3-ium-1-yl)propoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57507698
4-N,4-N-dimethyl-2-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridine-3,4-diamine
CID 57507714
2-[3-Amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl-trimethylazanium
CID 57507715
[1-[2-[3-Amino-4-(dimethylamino)pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-3-yl]-trimethylazanium
CID 57507716

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol?
The IUPAC name of 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol (CID 121421016) is 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol?
The canonical SMILES for 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol is [H]/N=C1\C=C(N)/C(=N/c2c(OCCCO)nn3ccccc23)N=C1Nc1c(OCCCO)nn2ccccc12.
What is the InChIKey of 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol?
The InChIKey is FDMJFMZDSDWAME-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H27N9O4/c26-16-15-17(27)23(29-21-19-8-2-4-10-34(19)32-25(21)38-14-6-12-36)30-22(16)28-20-18-7-1-3-9-33(18)31-24(20)37-13-5-11-35/h1-4,7-10,15,26,35-36H,5-6,11-14,27H2,(H,28,29,30)/b26-16+.
What are the key properties of 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol?
3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol has a molecular weight of 517.55 g/mol, XLogP of 1.92, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-amino-6-[2-(3-hydroxypropoxy)pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]pyrazolo[1,5-a]pyridin-2-yl]oxypropan-1-ol is sourced from PubChem (CID 121421016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).