CID 174037173

C21H21B3N6O5 — CID 174037173

IUPAC—
SMILES[B]C([B])([B])NC(=O)c1cnc(NC(=O)CC)cc1Nc1cccc(-c2noc(COC)n2)c1OC
InChIInChI=1S/C21H21B3N6O5/c1-4-16(31)27-15-8-14(12(9-25-15)20(32)29-21(22,23)24)26-13-7-5-6-11(18(13)34-3)19-28-17(10-33-2)35-30-19/h5-9H,4,10H2,1-3H3,(H,29,32)(H2,25,26,27,31)
InChIKeyCYXOZXOKXCYYJE-UHFFFAOYSA-N
MW469.87 g/mol
LogP1.23
Rot. Bonds10

About CID 174037173

CID 174037173 (PubChem CID 174037173) has the molecular formula C21H21B3N6O5 and a molecular weight of 469.87 g/mol.

Molecular Properties

Compound NameCID 174037173
PubChem CID174037173
Molecular FormulaC21H21B3N6O5
Molecular Weight469.87 g/mol
Exact Mass470.19
IUPAC Name—
SMILES[B]C([B])([B])NC(=O)c1cnc(NC(=O)CC)cc1Nc1cccc(-c2noc(COC)n2)c1OC
InChIInChI=1S/C21H21B3N6O5/c1-4-16(31)27-15-8-14(12(9-25-15)20(32)29-21(22,23)24)26-13-7-5-6-11(18(13)34-3)19-28-17(10-33-2)35-30-19/h5-9H,4,10H2,1-3H3,(H,29,32)(H2,25,26,27,31)
InChIKeyCYXOZXOKXCYYJE-UHFFFAOYSA-N
XLogP1.23
TPSA140.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.87
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

CID 174036867
CID 174036867
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175957194
4-[[3-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(propanoylamino)pyridine-3-carboxamide
CID 161230575
CID 174037160
CID 174037160
N-[5-(ethylaminocarbamoyl)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 171532642
6-[(2,4-dimethoxyphenyl)methylamino]-4-[2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trihydroxymethyl)pyridazine-3-carboxamide
CID 175624821
6-(hexanoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 170739317
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-fluoroethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
CID 170318085
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175742141
6-(cyclopropanecarbonylamino)-4-[[3-methoxy-4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160507017
CID 174037066
CID 174037066
N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082

Frequently Asked Questions

What is the IUPAC name of CID 174037173?
The IUPAC name of CID 174037173 (CID 174037173) is not available.
What is the SMILES notation for CID 174037173?
The canonical SMILES for CID 174037173 is [B]C([B])([B])NC(=O)c1cnc(NC(=O)CC)cc1Nc1cccc(-c2noc(COC)n2)c1OC.
What is the InChIKey of CID 174037173?
The InChIKey is CYXOZXOKXCYYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21B3N6O5/c1-4-16(31)27-15-8-14(12(9-25-15)20(32)29-21(22,23)24)26-13-7-5-6-11(18(13)34-3)19-28-17(10-33-2)35-30-19/h5-9H,4,10H2,1-3H3,(H,29,32)(H2,25,26,27,31).
What are the key properties of CID 174037173?
CID 174037173 has a molecular weight of 469.87 g/mol, XLogP of 1.23, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174037173 is sourced from PubChem (CID 174037173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).