2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol

C14H15N4O+ — CID 22723429

IUPAC2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol
SMILESNc1cnn2ccc(-c3cc[n+](CCO)cc3)cc12
InChIInChI=1S/C14H14N4O/c15-13-10-16-18-6-3-12(9-14(13)18)11-1-4-17(5-2-11)7-8-19/h1-6,9-10,15,19H,7-8H2/p+1
InChIKeyOGBMWQFDBTXDRS-UHFFFAOYSA-O
MW255.30 g/mol
LogP0.86
Rot. Bonds3

About 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol

2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol (PubChem CID 22723429) has the molecular formula C14H15N4O+ and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol
PubChem CID22723429
Molecular FormulaC14H15N4O+
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol
SMILESNc1cnn2ccc(-c3cc[n+](CCO)cc3)cc12
InChIInChI=1S/C14H14N4O/c15-13-10-16-18-6-3-12(9-14(13)18)11-1-4-17(5-2-11)7-8-19/h1-6,9-10,15,19H,7-8H2/p+1
InChIKeyOGBMWQFDBTXDRS-UHFFFAOYSA-O
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
3-(4-Fluorophenyl)-1-hydroxyethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647184
2-{[2-(1h-Pyrazolo[3,4-C]pyridin-3-Yl)-6-(Trifluoromethyl)pyridin-4-Yl]amino}ethanol
CID 72724831
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
Sdccgrch-0000185.P001
CID 10980521
3-(4-Phenyl-piperazin-1-ylmethyl)-pyrazolo[1,5-a]pyridine
CID 15522515
3-Propyl-1,2,3,4-tetrahydro-3,8a,9-triaza-fluorene
CID 44316315
(2R)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 137633948
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethanol
CID 137640574
2-[7-[[2-(2-Fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]ethanol
CID 137642485
4-[5-(1H-indazol-3-yl)-3-pyridinyl]morpholine
CID 137646685

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol (CID 22723429) is 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol is Nc1cnn2ccc(-c3cc[n+](CCO)cc3)cc12.
What is the InChIKey of 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol?
The InChIKey is OGBMWQFDBTXDRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N4O/c15-13-10-16-18-6-3-12(9-14(13)18)11-1-4-17(5-2-11)7-8-19/h1-6,9-10,15,19H,7-8H2/p+1.
What are the key properties of 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol?
2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol has a molecular weight of 255.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopyrazolo[1,5-a]pyridin-5-yl)pyridin-1-ium-1-yl]ethanol is sourced from PubChem (CID 22723429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).