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

C22H24N8O3 — CID 163334747

IUPACformic 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
SMILESNC(=O)c1ccc(-c2nc(C3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1.O=CO
InChIInChI=1S/C21H22N8O.CH2O2/c22-19(30)14-1-3-15(4-2-14)20-26-21(16-6-9-28-18(11-16)5-8-25-28)29(27-20)10-7-17-12-23-13-24-17;2-1-3/h1-5,8,12-13,16H,6-7,9-11H2,(H2,22,30)(H,23,24);1H,(H,2,3)
InChIKeyUVHWVPAZKQLGNK-UHFFFAOYSA-N
MW448.49 g/mol
LogP1.64
Rot. Bonds6

About 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

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 (PubChem CID 163334747) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameformic 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
PubChem CID163334747
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Nameformic 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
SMILESNC(=O)c1ccc(-c2nc(C3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1.O=CO
InChIInChI=1S/C21H22N8O.CH2O2/c22-19(30)14-1-3-15(4-2-14)20-26-21(16-6-9-28-18(11-16)5-8-25-28)29(27-20)10-7-17-12-23-13-24-17;2-1-3/h1-5,8,12-13,16H,6-7,9-11H2,(H2,22,30)(H,23,24);1H,(H,2,3)
InChIKeyUVHWVPAZKQLGNK-UHFFFAOYSA-N
XLogP1.64
TPSA157.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
4-[1-(2-methylpyrazol-3-yl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
CID 146043828
(5R)-5-[[2-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 163310817
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-butyl-1,2,4-triazol-3-yl]benzamide
CID 155499039
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-(2-ethoxyethyl)-1,2,4-triazol-3-yl]benzamide
CID 155504096
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-butyl-1,2,4-triazol-3-yl]benzamide;hydrochloride
CID 155939017
5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
CID 74250871
cyclohexyl-[(2S)-2-[2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 74235345
4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
CID 154565021
4-[4-[2-(1H-imidazol-5-yl)ethylamino]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]benzamide;dihydrochloride
CID 154886230
4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
CID 62999360
5-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 146042624

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1ccc(-c2nc(C3CCn4nccc4C3)n(CCc3cnc[nH]3)n2)cc1.O=CO.
What is the InChIKey of 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?
The InChIKey is UVHWVPAZKQLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O.CH2O2/c22-19(30)14-1-3-15(4-2-14)20-26-21(16-6-9-28-18(11-16)5-8-25-28)29(27-20)10-7-17-12-23-13-24-17;2-1-3/h1-5,8,12-13,16H,6-7,9-11H2,(H2,22,30)(H,23,24);1H,(H,2,3).
What are the key properties of 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?
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 has a molecular weight of 448.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163334747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).