CID 167500186

C18H13BFN5O — CID 167500186

IUPAC—
SMILES[B]c1ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2ncc(C)nc12
InChIInChI=1S/C18H13BFN5O/c1-9-6-21-15-12(3-4-13(19)16(15)22-9)18(26)24-11-5-14(20)17-23-10(2)7-25(17)8-11/h3-8H,1-2H3,(H,24,26)
InChIKeyCUWOTQLVYWIXIG-UHFFFAOYSA-N
MW345.15 g/mol
LogP2.08
Rot. Bonds2

About CID 167500186

CID 167500186 (PubChem CID 167500186) has the molecular formula C18H13BFN5O and a molecular weight of 345.15 g/mol.

Molecular Properties

Compound NameCID 167500186
PubChem CID167500186
Molecular FormulaC18H13BFN5O
Molecular Weight345.15 g/mol
Exact Mass345.12
IUPAC Name—
SMILES[B]c1ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2ncc(C)nc12
InChIInChI=1S/C18H13BFN5O/c1-9-6-21-15-12(3-4-13(19)16(15)22-9)18(26)24-11-5-14(20)17-23-10(2)7-25(17)8-11/h3-8H,1-2H3,(H,24,26)
InChIKeyCUWOTQLVYWIXIG-UHFFFAOYSA-N
XLogP2.08
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500756
CID 167501346
CID 167501346
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-8-pyrrolidin-1-ylquinoxaline-5-carboxamide
CID 167500596
2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 166507578
CID 156845164
CID 156845164
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500253
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 166848134
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500194
4-(2,6-dimethylpiperidin-4-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501667
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-piperazin-1-ylquinoxaline-5-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 167500340

Frequently Asked Questions

What is the IUPAC name of CID 167500186?
The IUPAC name of CID 167500186 (CID 167500186) is not available.
What is the SMILES notation for CID 167500186?
The canonical SMILES for CID 167500186 is [B]c1ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2ncc(C)nc12.
What is the InChIKey of CID 167500186?
The InChIKey is CUWOTQLVYWIXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BFN5O/c1-9-6-21-15-12(3-4-13(19)16(15)22-9)18(26)24-11-5-14(20)17-23-10(2)7-25(17)8-11/h3-8H,1-2H3,(H,24,26).
What are the key properties of CID 167500186?
CID 167500186 has a molecular weight of 345.15 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167500186 is sourced from PubChem (CID 167500186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).