CID 174143099

C18H18AsF2N7O3 — CID 174143099

IUPAC—
SMILESCOc1cc(Nc2cc([As])nc(C(F)F)n2)ncc1-c1cnn(CCN(C)C(=O)O)c1
InChIInChI=1S/C18H18AsF2N7O3/c1-27(18(29)30)3-4-28-9-10(7-23-28)11-8-22-14(5-12(11)31-2)25-15-6-13(19)24-17(26-15)16(20)21/h5-9,16H,3-4H2,1-2H3,(H,29,30)(H,22,24,25,26)
InChIKeyKXBFGDKVTHLWKZ-UHFFFAOYSA-N
MW493.31 g/mol
LogP1.83
Rot. Bonds8

About CID 174143099

CID 174143099 (PubChem CID 174143099) has the molecular formula C18H18AsF2N7O3 and a molecular weight of 493.31 g/mol.

Molecular Properties

Compound NameCID 174143099
PubChem CID174143099
Molecular FormulaC18H18AsF2N7O3
Molecular Weight493.31 g/mol
Exact Mass493.07
IUPAC Name—
SMILESCOc1cc(Nc2cc([As])nc(C(F)F)n2)ncc1-c1cnn(CCN(C)C(=O)O)c1
InChIInChI=1S/C18H18AsF2N7O3/c1-27(18(29)30)3-4-28-9-10(7-23-28)11-8-22-14(5-12(11)31-2)25-15-6-13(19)24-17(26-15)16(20)21/h5-9,16H,3-4H2,1-2H3,(H,29,30)(H,22,24,25,26)
InChIKeyKXBFGDKVTHLWKZ-UHFFFAOYSA-N
XLogP1.83
TPSA118.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze CID 174143099 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[4-[6-[[6-amino-2-(difluoromethyl)pyrimidin-4-yl]amino]-4-fluoro-3-pyridinyl]pyrazol-1-yl]ethyl]-N-methylcarbamate
CID 175947827
2-(difluoromethyl)-6-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[4-methoxy-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2-pyridinyl]pyrimidine-4,6-diamine
CID 170305748
2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid
CID 146662197
2-(difluoromethyl)-4-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 170305718
tert-butyl-[2-[4-(6-chloro-4-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]carbamic acid;tert-butyl N-[2-[4-(6-chloro-4-fluoro-3-pyridinyl)pyrazol-1-yl]ethyl]-N-methylcarbamate
CID 175947852
N-[4-[(3S)-3-aminopiperidin-1-yl]-5-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-pyridinyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-amine;hydrochloride
CID 172626422
6-tert-butyl-9-[1-(3,3-dihydroxypropyl)pyrazol-4-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146589200
2-[6-[[4-(difluoromethoxy)-2-pyridinyl]amino]-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carbaldehyde
CID 166713330
6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 118914248
3-[4-[2-methoxy-5-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenyl]pyrazol-1-yl]propanamide
CID 170509361
2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl-methylcarbamic acid
CID 68693816
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928

Frequently Asked Questions

What is the IUPAC name of CID 174143099?
The IUPAC name of CID 174143099 (CID 174143099) is not available.
What is the SMILES notation for CID 174143099?
The canonical SMILES for CID 174143099 is COc1cc(Nc2cc([As])nc(C(F)F)n2)ncc1-c1cnn(CCN(C)C(=O)O)c1.
What is the InChIKey of CID 174143099?
The InChIKey is KXBFGDKVTHLWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18AsF2N7O3/c1-27(18(29)30)3-4-28-9-10(7-23-28)11-8-22-14(5-12(11)31-2)25-15-6-13(19)24-17(26-15)16(20)21/h5-9,16H,3-4H2,1-2H3,(H,29,30)(H,22,24,25,26).
What are the key properties of CID 174143099?
CID 174143099 has a molecular weight of 493.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174143099 is sourced from PubChem (CID 174143099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).