formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C20H22N8O2 — CID 163334744

IUPACformic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESO=CO.c1ccc(-c2nc(C3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)nc1
InChIInChI=1S/C19H20N8.CH2O2/c1-2-7-21-17(3-1)18-24-19(14-5-9-26-16(11-14)4-8-23-26)27(25-18)10-6-15-12-20-13-22-15;2-1-3/h1-4,7-8,12-14H,5-6,9-11H2,(H,20,22);1H,(H,2,3)
InChIKeyZRTUVPLISAQTND-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.93
Rot. Bonds5

About formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 163334744) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameformic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID163334744
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Nameformic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESO=CO.c1ccc(-c2nc(C3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)nc1
InChIInChI=1S/C19H20N8.CH2O2/c1-2-7-21-17(3-1)18-24-19(14-5-9-26-16(11-14)4-8-23-26)27(25-18)10-6-15-12-20-13-22-15;2-1-3/h1-4,7-8,12-14H,5-6,9-11H2,(H,20,22);1H,(H,2,3)
InChIKeyZRTUVPLISAQTND-UHFFFAOYSA-N
XLogP1.93
TPSA127.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

formic acid;4-[1-[2-(1H-imidazol-5-yl)ethyl]-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
CID 163334747
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563824
5-[2-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 146042987
(5R,6S)-5-(3,4-dimethoxyphenyl)-6-(2-propyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)morpholin-3-one;formic acid
CID 163340520
(5R)-5-[[2-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 163310817
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563353
5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
CID 74250871
2-(1H-imidazol-5-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 99988134
cyclohexyl-[(2S)-2-[2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 74235345
(1R)-2-(1H-imidazol-5-yl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
2-[1-(3-methyl-4-pyridinyl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038994
5-[2-(benzenesulfonyl)ethyl]-3-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazole
CID 74250876

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 163334744) is formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is O=CO.c1ccc(-c2nc(C3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)nc1.
What is the InChIKey of formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is ZRTUVPLISAQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8.CH2O2/c1-2-7-21-17(3-1)18-24-19(14-5-9-26-16(11-14)4-8-23-26)27(25-18)10-6-15-12-20-13-22-15;2-1-3/h1-4,7-8,12-14H,5-6,9-11H2,(H,20,22);1H,(H,2,3).
What are the key properties of formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 406.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[2-[2-(1H-imidazol-5-yl)ethyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 163334744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).