CID 163989195

C10H5BFN3O — CID 163989195

IUPAC—
SMILES[B]c1ncoc1-c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C10H5BFN3O/c11-9-8(16-4-15-9)7-3-14-10-6(7)1-5(12)2-13-10/h1-4H,(H,13,14)
InChIKeyRLJJPPJQIKRHNM-UHFFFAOYSA-N
MW212.98 g/mol
LogP1.15
Rot. Bonds1

About CID 163989195

CID 163989195 (PubChem CID 163989195) has the molecular formula C10H5BFN3O and a molecular weight of 212.98 g/mol.

Molecular Properties

Compound NameCID 163989195
PubChem CID163989195
Molecular FormulaC10H5BFN3O
Molecular Weight212.98 g/mol
Exact Mass213.05
IUPAC Name—
SMILES[B]c1ncoc1-c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C10H5BFN3O/c11-9-8(16-4-15-9)7-3-14-10-6(7)1-5(12)2-13-10/h1-4H,(H,13,14)
InChIKeyRLJJPPJQIKRHNM-UHFFFAOYSA-N
XLogP1.15
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.98
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-3-amino-3-oxo-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 24861177
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]methyl]pyridine-3-carboxamide
CID 59362448
2-methyl-N-[3-[5-(1,3-oxazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 89630043
5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole
CID 19705296
2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
CID 10379857
1-[(3,4-difluorophenyl)methyl]-N-[(1R)-3-(methylamino)-3-oxo-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propyl]-2-oxopyridine-3-carboxamide
CID 59362346
(3-amino-2,6-difluorophenyl)-[4-[3-(1,3-oxazol-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 68306597
(3-amino-2,6-difluorophenyl)-[4-[3-(1,3-oxazol-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methanone
CID 68306614
1-[(3,4-difluorophenyl)methyl]-N-[3-(methylamino)-3-oxo-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazol-2-yl]propyl]-2-oxopyridine-3-carboxamide
CID 72270730
[2,6-difluoro-3-[(3-fluorophenyl)methylamino]phenyl]-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 123522244
(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 141301533
4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155227522

Frequently Asked Questions

What is the IUPAC name of CID 163989195?
The IUPAC name of CID 163989195 (CID 163989195) is not available.
What is the SMILES notation for CID 163989195?
The canonical SMILES for CID 163989195 is [B]c1ncoc1-c1c[nH]c2ncc(F)cc12.
What is the InChIKey of CID 163989195?
The InChIKey is RLJJPPJQIKRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BFN3O/c11-9-8(16-4-15-9)7-3-14-10-6(7)1-5(12)2-13-10/h1-4H,(H,13,14).
What are the key properties of CID 163989195?
CID 163989195 has a molecular weight of 212.98 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163989195 is sourced from PubChem (CID 163989195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).