3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide

C20H23N7O2 — CID 136537089

IUPAC3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cccc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1
InChIInChI=1S/C20H23N7O2/c1-25(2)20(29)15-7-5-6-14(10-15)19(28)22-16-11-21-26(12-16)13-18-24-23-17-8-3-4-9-27(17)18/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,22,28)
InChIKeyHMZBYKZFEBHGKN-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.81
Rot. Bonds5

About 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide

3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide (PubChem CID 136537089) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide
PubChem CID136537089
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cccc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1
InChIInChI=1S/C20H23N7O2/c1-25(2)20(29)15-7-5-6-14(10-15)19(28)22-16-11-21-26(12-16)13-18-24-23-17-8-3-4-9-27(17)18/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,22,28)
InChIKeyHMZBYKZFEBHGKN-UHFFFAOYSA-N
XLogP1.81
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]acetamide
CID 166219106
4-methoxy-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 136537092
4-[[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]amino]methyl]benzoic acid
CID 122033581
1-(4-fluorophenyl)-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146081871
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668884
3-(dimethylamino)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 7551773
N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)phenyl]benzamide
CID 122138898
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoylamino)phenyl]benzamide
CID 51116724
3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 7761249
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
3-(dimethylamino)-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]benzamide
CID 51104194

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide (CID 136537089) is 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide is CN(C)C(=O)c1cccc(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide?
The InChIKey is HMZBYKZFEBHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-25(2)20(29)15-7-5-6-14(10-15)19(28)22-16-11-21-26(12-16)13-18-24-23-17-8-3-4-9-27(17)18/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,22,28).
What are the key properties of 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide?
3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 136537089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).