CID 174079155

C17H15B4N7O2S — CID 174079155

IUPAC—
SMILES[B]C1([B])CC(c2cn3ncnc3cc2C)CC([B])([B])N1S(=O)(=O)c1cnn(C)c1C#N
InChIInChI=1S/C17H15B4N7O2S/c1-10-3-15-23-9-25-27(15)8-12(10)11-4-16(18,19)28(17(20,21)5-11)31(29,30)14-7-24-26(2)13(14)6-22/h3,7-9,11H,4-5H2,1-2H3
InChIKeyNOGJVPRVXWYABF-UHFFFAOYSA-N
MW424.67 g/mol
LogP-0.81
Rot. Bonds3

About CID 174079155

CID 174079155 (PubChem CID 174079155) has the molecular formula C17H15B4N7O2S and a molecular weight of 424.67 g/mol.

Molecular Properties

Compound NameCID 174079155
PubChem CID174079155
Molecular FormulaC17H15B4N7O2S
Molecular Weight424.67 g/mol
Exact Mass425.14
IUPAC Name—
SMILES[B]C1([B])CC(c2cn3ncnc3cc2C)CC([B])([B])N1S(=O)(=O)c1cnn(C)c1C#N
InChIInChI=1S/C17H15B4N7O2S/c1-10-3-15-23-9-25-27(15)8-12(10)11-4-16(18,19)28(17(20,21)5-11)31(29,30)14-7-24-26(2)13(14)6-22/h3,7-9,11H,4-5H2,1-2H3
InChIKeyNOGJVPRVXWYABF-UHFFFAOYSA-N
XLogP-0.81
TPSA109.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
2-[4-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1-methylpyrazol-5-yl]acetonitrile
CID 168797792
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168798158
CID 174079149
CID 174079149
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
7-methyl-6-[1-[3-methyl-1-(trideuteriomethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797789
6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797567
1-methyl-5-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonylbenzotriazole
CID 168797541
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 168797619
7-fluoro-6-[2,2,6,6-tetradeuterio-1-[5-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797544
6-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 168798119

Frequently Asked Questions

What is the IUPAC name of CID 174079155?
The IUPAC name of CID 174079155 (CID 174079155) is not available.
What is the SMILES notation for CID 174079155?
The canonical SMILES for CID 174079155 is [B]C1([B])CC(c2cn3ncnc3cc2C)CC([B])([B])N1S(=O)(=O)c1cnn(C)c1C#N.
What is the InChIKey of CID 174079155?
The InChIKey is NOGJVPRVXWYABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15B4N7O2S/c1-10-3-15-23-9-25-27(15)8-12(10)11-4-16(18,19)28(17(20,21)5-11)31(29,30)14-7-24-26(2)13(14)6-22/h3,7-9,11H,4-5H2,1-2H3.
What are the key properties of CID 174079155?
CID 174079155 has a molecular weight of 424.67 g/mol, XLogP of -0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174079155 is sourced from PubChem (CID 174079155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).