CID 156845164

C13H8BF2N3OS — CID 156845164

IUPAC—
SMILES[B]c1cc(F)c(C(=O)Nc2cc(F)c3nc(C)cn3c2)s1
InChIInChI=1S/C13H8BF2N3OS/c1-6-4-19-5-7(2-9(16)12(19)17-6)18-13(20)11-8(15)3-10(14)21-11/h2-5H,1H3,(H,18,20)
InChIKeyUWRJTMDDDGJOGM-UHFFFAOYSA-N
MW303.10 g/mol
LogP2.03
Rot. Bonds2

About CID 156845164

CID 156845164 (PubChem CID 156845164) has the molecular formula C13H8BF2N3OS and a molecular weight of 303.10 g/mol.

Molecular Properties

Compound NameCID 156845164
PubChem CID156845164
Molecular FormulaC13H8BF2N3OS
Molecular Weight303.10 g/mol
Exact Mass303.04
IUPAC Name—
SMILES[B]c1cc(F)c(C(=O)Nc2cc(F)c3nc(C)cn3c2)s1
InChIInChI=1S/C13H8BF2N3OS/c1-6-4-19-5-7(2-9(16)12(19)17-6)18-13(20)11-8(15)3-10(14)21-11/h2-5H,1H3,(H,18,20)
InChIKeyUWRJTMDDDGJOGM-UHFFFAOYSA-N
XLogP2.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 166507578
3-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 167500126
CID 167500186
CID 167500186
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
4-amino-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 156888612
CID 167501346
CID 167501346
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 166848134
tert-butyl 7-[4-fluoro-5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]thiophen-2-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 156845103
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 166848042
N-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-5-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 156845224
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
2,5-difluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-methylpiperazin-1-yl)benzamide
CID 90468665

Frequently Asked Questions

What is the IUPAC name of CID 156845164?
The IUPAC name of CID 156845164 (CID 156845164) is not available.
What is the SMILES notation for CID 156845164?
The canonical SMILES for CID 156845164 is [B]c1cc(F)c(C(=O)Nc2cc(F)c3nc(C)cn3c2)s1.
What is the InChIKey of CID 156845164?
The InChIKey is UWRJTMDDDGJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BF2N3OS/c1-6-4-19-5-7(2-9(16)12(19)17-6)18-13(20)11-8(15)3-10(14)21-11/h2-5H,1H3,(H,18,20).
What are the key properties of CID 156845164?
CID 156845164 has a molecular weight of 303.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156845164 is sourced from PubChem (CID 156845164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).