CID 87712170

C20H24AsN4O2 — CID 87712170

IUPAC—
SMILESCn1nc(C(=O)NC2CN3CCC2CC3)c2ccc([As]C(=O)C3CC3)cc21
InChIInChI=1S/C20H24AsN4O2/c1-24-17-10-14(21-19(26)13-2-3-13)4-5-15(17)18(23-24)20(27)22-16-11-25-8-6-12(16)7-9-25/h4-5,10,12-13,16H,2-3,6-9,11H2,1H3,(H,22,27)
InChIKeyGUOINZHOLIWSHR-UHFFFAOYSA-N
MW427.36 g/mol
LogP0.66
Rot. Bonds5

About CID 87712170

CID 87712170 (PubChem CID 87712170) has the molecular formula C20H24AsN4O2 and a molecular weight of 427.36 g/mol.

Molecular Properties

Compound NameCID 87712170
PubChem CID87712170
Molecular FormulaC20H24AsN4O2
Molecular Weight427.36 g/mol
Exact Mass427.11
IUPAC Name—
SMILESCn1nc(C(=O)NC2CN3CCC2CC3)c2ccc([As]C(=O)C3CC3)cc21
InChIInChI=1S/C20H24AsN4O2/c1-24-17-10-14(21-19(26)13-2-3-13)4-5-15(17)18(23-24)20(27)22-16-11-25-8-6-12(16)7-9-25/h4-5,10,12-13,16H,2-3,6-9,11H2,1H3,(H,22,27)
InChIKeyGUOINZHOLIWSHR-UHFFFAOYSA-N
XLogP0.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 50.66
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

3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-N-propan-2-ylindazole-1,3-dicarboxamide
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CID 91948639
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-ethyl-6-[[hydroxy(propylamino)methyl]amino]indazole-3-carboxamide
CID 163637662
3-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-cyclopropylindazole-1,3-dicarboxamide
CID 69225386
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-(cyclopropanecarbonylamino)-1-(2,2,2-trifluoroethyl)indazole-3-carboxamide
CID 11510364
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-3-carboxamide;hydrochloride
CID 23036705
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynyl-1H-indazole-3-carboxamide
CID 73069346
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824

Frequently Asked Questions

What is the IUPAC name of CID 87712170?
The IUPAC name of CID 87712170 (CID 87712170) is not available.
What is the SMILES notation for CID 87712170?
The canonical SMILES for CID 87712170 is Cn1nc(C(=O)NC2CN3CCC2CC3)c2ccc([As]C(=O)C3CC3)cc21.
What is the InChIKey of CID 87712170?
The InChIKey is GUOINZHOLIWSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24AsN4O2/c1-24-17-10-14(21-19(26)13-2-3-13)4-5-15(17)18(23-24)20(27)22-16-11-25-8-6-12(16)7-9-25/h4-5,10,12-13,16H,2-3,6-9,11H2,1H3,(H,22,27).
What are the key properties of CID 87712170?
CID 87712170 has a molecular weight of 427.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87712170 is sourced from PubChem (CID 87712170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).