CID 167501346

C18H15BFN5O — CID 167501346

IUPAC—
SMILES[B]c1ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2nn(CC)cc12
InChIInChI=1S/C18H15BFN5O/c1-3-25-9-13-14(19)5-4-12(16(13)23-25)18(26)22-11-6-15(20)17-21-10(2)7-24(17)8-11/h4-9H,3H2,1-2H3,(H,22,26)
InChIKeyVGLMSNFJJAOJHV-UHFFFAOYSA-N
MW347.16 g/mol
LogP2.20
Rot. Bonds3

About CID 167501346

CID 167501346 (PubChem CID 167501346) has the molecular formula C18H15BFN5O and a molecular weight of 347.16 g/mol.

Molecular Properties

Compound NameCID 167501346
PubChem CID167501346
Molecular FormulaC18H15BFN5O
Molecular Weight347.16 g/mol
Exact Mass347.14
IUPAC Name—
SMILES[B]c1ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2nn(CC)cc12
InChIInChI=1S/C18H15BFN5O/c1-3-25-9-13-14(19)5-4-12(16(13)23-25)18(26)22-11-6-15(20)17-21-10(2)7-24(17)8-11/h4-9H,3H2,1-2H3,(H,22,26)
InChIKeyVGLMSNFJJAOJHV-UHFFFAOYSA-N
XLogP2.20
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.20
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

2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
4-(4-amino-4-ethylpiperidin-1-yl)-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
CID 167500947
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
CID 167502145
CID 167500186
CID 167500186
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3S,5R)-3-methyl-5-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167501435
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501526
[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 176741432
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)indazole-7-carboxamide
CID 167502177
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
4-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)indazole-7-carboxamide
CID 167501775
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617

Frequently Asked Questions

What is the IUPAC name of CID 167501346?
The IUPAC name of CID 167501346 (CID 167501346) is not available.
What is the SMILES notation for CID 167501346?
The canonical SMILES for CID 167501346 is [B]c1ccc(C(=O)Nc2cc(F)c3nc(C)cn3c2)c2nn(CC)cc12.
What is the InChIKey of CID 167501346?
The InChIKey is VGLMSNFJJAOJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BFN5O/c1-3-25-9-13-14(19)5-4-12(16(13)23-25)18(26)22-11-6-15(20)17-21-10(2)7-24(17)8-11/h4-9H,3H2,1-2H3,(H,22,26).
What are the key properties of CID 167501346?
CID 167501346 has a molecular weight of 347.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167501346 is sourced from PubChem (CID 167501346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).