CID 175973878

C24H26AsN6O2 — CID 175973878

IUPAC—
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1[As]c1cccc2c1N(CC)Cc1nn(C)nc1-2
InChIInChI=1S/C24H26AsN6O2/c1-4-20(32)16-12-26-21(27-24(33)14-9-10-14)11-18(16)25-17-8-6-7-15-22-19(28-30(3)29-22)13-31(5-2)23(15)17/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,26,27,33)/i1D3
InChIKeyIUJPTUZHSJPILZ-FIBGUPNXSA-N
MW508.45 g/mol
LogP1.81
Rot. Bonds8

About CID 175973878

CID 175973878 (PubChem CID 175973878) has the molecular formula C24H26AsN6O2 and a molecular weight of 508.45 g/mol.

Molecular Properties

Compound NameCID 175973878
PubChem CID175973878
Molecular FormulaC24H26AsN6O2
Molecular Weight508.45 g/mol
Exact Mass508.15
IUPAC Name—
SMILES[2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1[As]c1cccc2c1N(CC)Cc1nn(C)nc1-2
InChIInChI=1S/C24H26AsN6O2/c1-4-20(32)16-12-26-21(27-24(33)14-9-10-14)11-18(16)25-17-8-6-7-15-22-19(28-30(3)29-22)13-31(5-2)23(15)17/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,26,27,33)/i1D3
InChIKeyIUJPTUZHSJPILZ-FIBGUPNXSA-N
XLogP1.81
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c]quinolin-6-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600229
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600341
N-[4-[[(4R)-8-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973916
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162
N-[4-[[(4R)-2,3,4,5-tetramethyl-4H-imidazo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973840
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c]quinolin-6-yl]amino]pyridine-3-carboxamide
CID 164903027
N-[4-[(2,6-dimethyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzodiazepin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600322
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
N-[4-[[(4S)-2,4-dimethyl-5-(trideuteriomethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 171663354
N-[4-[[(4R)-2,3,4,5,8-pentamethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044532
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097

Frequently Asked Questions

What is the IUPAC name of CID 175973878?
The IUPAC name of CID 175973878 (CID 175973878) is not available.
What is the SMILES notation for CID 175973878?
The canonical SMILES for CID 175973878 is [2H]C([2H])([2H])CC(=O)c1cnc(NC(=O)C2CC2)cc1[As]c1cccc2c1N(CC)Cc1nn(C)nc1-2.
What is the InChIKey of CID 175973878?
The InChIKey is IUJPTUZHSJPILZ-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H26AsN6O2/c1-4-20(32)16-12-26-21(27-24(33)14-9-10-14)11-18(16)25-17-8-6-7-15-22-19(28-30(3)29-22)13-31(5-2)23(15)17/h6-8,11-12,14H,4-5,9-10,13H2,1-3H3,(H,26,27,33)/i1D3.
What are the key properties of CID 175973878?
CID 175973878 has a molecular weight of 508.45 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175973878 is sourced from PubChem (CID 175973878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).