CID 163986010

C16H13BCl2N4O3 — CID 163986010

IUPAC—
SMILES[B]c1ccc(Nc2c(C(=O)NOCCO)cn3ccnc3c2Cl)c(Cl)c1
InChIInChI=1S/C16H13BCl2N4O3/c17-9-1-2-12(11(18)7-9)21-14-10(16(25)22-26-6-5-24)8-23-4-3-20-15(23)13(14)19/h1-4,7-8,21,24H,5-6H2,(H,22,25)
InChIKeyGXSCXTARUUOJFV-UHFFFAOYSA-N
MW391.02 g/mol
LogP1.83
Rot. Bonds6

About CID 163986010

CID 163986010 (PubChem CID 163986010) has the molecular formula C16H13BCl2N4O3 and a molecular weight of 391.02 g/mol.

Molecular Properties

Compound NameCID 163986010
PubChem CID163986010
Molecular FormulaC16H13BCl2N4O3
Molecular Weight391.02 g/mol
Exact Mass390.05
IUPAC Name—
SMILES[B]c1ccc(Nc2c(C(=O)NOCCO)cn3ccnc3c2Cl)c(Cl)c1
InChIInChI=1S/C16H13BCl2N4O3/c17-9-1-2-12(11(18)7-9)21-14-10(16(25)22-26-6-5-24)8-23-4-3-20-15(23)13(14)19/h1-4,7-8,21,24H,5-6H2,(H,22,25)
InChIKeyGXSCXTARUUOJFV-UHFFFAOYSA-N
XLogP1.83
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.02
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58886667
8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 59991464
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
CID 142808181
CID 142808181
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
7-(4-bromo-2-chloroanilino)-8-chloro-N-(cyclopropylmethoxy)-3-morpholin-4-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 11685443

Frequently Asked Questions

What is the IUPAC name of CID 163986010?
The IUPAC name of CID 163986010 (CID 163986010) is not available.
What is the SMILES notation for CID 163986010?
The canonical SMILES for CID 163986010 is [B]c1ccc(Nc2c(C(=O)NOCCO)cn3ccnc3c2Cl)c(Cl)c1.
What is the InChIKey of CID 163986010?
The InChIKey is GXSCXTARUUOJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BCl2N4O3/c17-9-1-2-12(11(18)7-9)21-14-10(16(25)22-26-6-5-24)8-23-4-3-20-15(23)13(14)19/h1-4,7-8,21,24H,5-6H2,(H,22,25).
What are the key properties of CID 163986010?
CID 163986010 has a molecular weight of 391.02 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163986010 is sourced from PubChem (CID 163986010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).