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

C20H20N8O — CID 146043828

IUPAC4-[1-(2-methylpyrazol-3-yl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
SMILESCn1nccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1C1CCn2nccc2C1
InChIInChI=1S/C20H20N8O/c1-26-17(7-10-22-26)28-20(15-8-11-27-16(12-15)6-9-23-27)24-19(25-28)14-4-2-13(3-5-14)18(21)29/h2-7,9-10,15H,8,11-12H2,1H3,(H2,21,29)
InChIKeyZFLLPXGAUQKMBR-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.69
Rot. Bonds4

About 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

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 (PubChem CID 146043828) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[1-(2-methylpyrazol-3-yl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
PubChem CID146043828
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name4-[1-(2-methylpyrazol-3-yl)-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-1,2,4-triazol-3-yl]benzamide
SMILESCn1nccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1C1CCn2nccc2C1
InChIInChI=1S/C20H20N8O/c1-26-17(7-10-22-26)28-20(15-8-11-27-16(12-15)6-9-23-27)24-19(25-28)14-4-2-13(3-5-14)18(21)29/h2-7,9-10,15H,8,11-12H2,1H3,(H2,21,29)
InChIKeyZFLLPXGAUQKMBR-UHFFFAOYSA-N
XLogP1.69
TPSA109.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

5-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 155493616
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-[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-(2-ethoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 146042987
[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 139598744
4-(4-methyl-1,4,5-triazatricyclo[5.2.2.02,6]undeca-2,5-dien-3-yl)benzamide
CID 84613361
1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
CID 155965920
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-butyl-1,2,4-triazol-3-yl]benzamide
CID 155499039
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038175
4-[1-cyclohexyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]benzamide
CID 72902869
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-amine
CID 55284769
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-butyl-1,2,4-triazol-3-yl]benzamide;hydrochloride
CID 155939017

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1C1CCn2nccc2C1.
What is the InChIKey of 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?
The InChIKey is ZFLLPXGAUQKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-26-17(7-10-22-26)28-20(15-8-11-27-16(12-15)6-9-23-27)24-19(25-28)14-4-2-13(3-5-14)18(21)29/h2-7,9-10,15H,8,11-12H2,1H3,(H2,21,29).
What are the key properties of 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?
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 has a molecular weight of 388.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146043828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).