CID 175632841

C20H21B2FN5O2P — CID 175632841

IUPAC—
SMILES[B]N1CCC(n2cc3cc(NC(=O)c4cccc(C([B])(F)P)n4)c(OC)cc3n2)CC1
InChIInChI=1S/C20H21B2FN5O2P/c1-30-17-10-15-12(11-28(26-15)13-5-7-27(22)8-6-13)9-16(17)25-19(29)14-3-2-4-18(24-14)20(21,23)31/h2-4,9-11,13H,5-8,31H2,1H3,(H,25,29)
InChIKeyIVWIMGSYFHRXTF-UHFFFAOYSA-N
MW435.02 g/mol
LogP2.54
Rot. Bonds5

About CID 175632841

CID 175632841 (PubChem CID 175632841) has the molecular formula C20H21B2FN5O2P and a molecular weight of 435.02 g/mol.

Molecular Properties

Compound NameCID 175632841
PubChem CID175632841
Molecular FormulaC20H21B2FN5O2P
Molecular Weight435.02 g/mol
Exact Mass435.16
IUPAC Name—
SMILES[B]N1CCC(n2cc3cc(NC(=O)c4cccc(C([B])(F)P)n4)c(OC)cc3n2)CC1
InChIInChI=1S/C20H21B2FN5O2P/c1-30-17-10-15-12(11-28(26-15)13-5-7-27(22)8-6-13)9-16(17)25-19(29)14-3-2-4-18(24-14)20(21,23)31/h2-4,9-11,13H,5-8,31H2,1H3,(H,25,29)
InChIKeyIVWIMGSYFHRXTF-UHFFFAOYSA-N
XLogP2.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.02
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;methanol
CID 155751757
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
N-(2-cyclohexyl-6-cyclopropyloxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448588
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
9-[[4-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]-methylamino]-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 175693102

Frequently Asked Questions

What is the IUPAC name of CID 175632841?
The IUPAC name of CID 175632841 (CID 175632841) is not available.
What is the SMILES notation for CID 175632841?
The canonical SMILES for CID 175632841 is [B]N1CCC(n2cc3cc(NC(=O)c4cccc(C([B])(F)P)n4)c(OC)cc3n2)CC1.
What is the InChIKey of CID 175632841?
The InChIKey is IVWIMGSYFHRXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21B2FN5O2P/c1-30-17-10-15-12(11-28(26-15)13-5-7-27(22)8-6-13)9-16(17)25-19(29)14-3-2-4-18(24-14)20(21,23)31/h2-4,9-11,13H,5-8,31H2,1H3,(H,25,29).
What are the key properties of CID 175632841?
CID 175632841 has a molecular weight of 435.02 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175632841 is sourced from PubChem (CID 175632841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).