CID 153383245

C16H11BN5 — CID 153383245

IUPAC—
SMILESCC1=Nc2cnc(-c3cc(C#N)c4nc(C)cn4c3)cc2[B]1
InChIInChI=1S/C16H11BN5/c1-9-7-22-8-12(3-11(5-18)16(22)20-9)14-4-13-15(6-19-14)21-10(2)17-13/h3-4,6-8H,1-2H3
InChIKeyCSAZABULTYUNPT-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.97
Rot. Bonds1

About CID 153383245

CID 153383245 (PubChem CID 153383245) has the molecular formula C16H11BN5 and a molecular weight of 284.11 g/mol.

Molecular Properties

Compound NameCID 153383245
PubChem CID153383245
Molecular FormulaC16H11BN5
Molecular Weight284.11 g/mol
Exact Mass284.11
IUPAC Name—
SMILESCC1=Nc2cnc(-c3cc(C#N)c4nc(C)cn4c3)cc2[B]1
InChIInChI=1S/C16H11BN5/c1-9-7-22-8-12(3-11(5-18)16(22)20-9)14-4-13-15(6-19-14)21-10(2)17-13/h3-4,6-8H,1-2H3
InChIKeyCSAZABULTYUNPT-UHFFFAOYSA-N
XLogP1.97
TPSA66.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 153383364
6-(4,5-dimethyl-2-pyridinyl)-8-fluoro-2-methylimidazo[1,2-a]pyridine
CID 153383007
2-methyl-6-[6-[3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-yl]imidazo[1,2-a]pyridine-8-carbonitrile
CID 168977755
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
CID 172750757
6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
CID 177038494
6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-[1,3]thiazolo[4,5-c]pyridine;N-methyl-6-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-methyl-6-[2-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile
CID 161236494
ethane;2-methyl-6-[3-methyl-4-(propan-2-ylideneamino)phenyl]imidazo[1,2-a]pyridine-8-carbonitrile;2,2,4,6,6-pentamethylpiperidine
CID 153383221
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
6-(3,6-dihydro-2H-pyran-4-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 121426233
N-(9-azabicyclo[3.3.1]nonan-3-yl)-6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 151013143
6-methylimidazo[1,5-a]pyrazine-8-carbonitrile
CID 76849831
5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1079878

Frequently Asked Questions

What is the IUPAC name of CID 153383245?
The IUPAC name of CID 153383245 (CID 153383245) is not available.
What is the SMILES notation for CID 153383245?
The canonical SMILES for CID 153383245 is CC1=Nc2cnc(-c3cc(C#N)c4nc(C)cn4c3)cc2[B]1.
What is the InChIKey of CID 153383245?
The InChIKey is CSAZABULTYUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BN5/c1-9-7-22-8-12(3-11(5-18)16(22)20-9)14-4-13-15(6-19-14)21-10(2)17-13/h3-4,6-8H,1-2H3.
What are the key properties of CID 153383245?
CID 153383245 has a molecular weight of 284.11 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153383245 is sourced from PubChem (CID 153383245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).