CID 165120534

C26H23FIN7OSi- — CID 165120534

IUPAC—
SMILESCN1CC[I-][C@@]([Si])(Oc2cc(-c3cnn(C)c3)cc3ncnc(Nc4ccc5ncccc5c4F)c23)C1
InChIInChI=1S/C26H23FIN7OSi/c1-34-9-7-28-26(37,14-34)36-22-11-16(17-12-32-35(2)13-17)10-21-23(22)25(31-15-30-21)33-20-6-5-19-18(24(20)27)4-3-8-29-19/h3-6,8,10-13,15H,7,9,14H2,1-2H3,(H,30,31,33)/q-1/t26-/m1/s1
InChIKeyGAIPVTJBKNIRJP-AREMUKBSSA-N
MW623.51 g/mol
LogP0.70
Rot. Bonds5

About CID 165120534

CID 165120534 (PubChem CID 165120534) has the molecular formula C26H23FIN7OSi- and a molecular weight of 623.51 g/mol.

Molecular Properties

Compound NameCID 165120534
PubChem CID165120534
Molecular FormulaC26H23FIN7OSi-
Molecular Weight623.51 g/mol
Exact Mass623.08
IUPAC Name—
SMILESCN1CC[I-][C@@]([Si])(Oc2cc(-c3cnn(C)c3)cc3ncnc(Nc4ccc5ncccc5c4F)c23)C1
InChIInChI=1S/C26H23FIN7OSi/c1-34-9-7-28-26(37,14-34)36-22-11-16(17-12-32-35(2)13-17)10-21-23(22)25(31-15-30-21)33-20-6-5-19-18(24(20)27)4-3-8-29-19/h3-6,8,10-13,15H,7,9,14H2,1-2H3,(H,30,31,33)/q-1/t26-/m1/s1
InChIKeyGAIPVTJBKNIRJP-AREMUKBSSA-N
XLogP0.70
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.51
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R,3R)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120699
2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxycyclobutan-1-ol
CID 165120340
5-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120402
5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 166592246
ethane;2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropanamide
CID 165120415
(2S)-2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 165120670
N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120422
N-(5-fluoroquinolin-6-yl)-7-[1-(2-methoxyethyl)pyrazol-4-yl]-5-[(1R)-1-(oxetan-3-yl)ethoxy]quinazolin-4-amine
CID 165120613
N-(2,4-difluoro-3-methylphenyl)-7-(1-methylpyrazol-4-yl)-5-[(1S)-1-pyrimidin-2-ylethoxy]quinazolin-4-amine
CID 172621960
N-(4-fluoropyrazolo[1,5-a]pyridin-5-yl)-7-(1-methylpyrazol-4-yl)-5-[(1R)-1-pyrimidin-2-ylethoxy]quinazolin-4-amine
CID 172621900
7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
CID 165120430
7-fluoro-N-[5-[(3S)-1-methylpiperidin-3-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-6-amine
CID 171089139

Frequently Asked Questions

What is the IUPAC name of CID 165120534?
The IUPAC name of CID 165120534 (CID 165120534) is not available.
What is the SMILES notation for CID 165120534?
The canonical SMILES for CID 165120534 is CN1CC[I-][C@@]([Si])(Oc2cc(-c3cnn(C)c3)cc3ncnc(Nc4ccc5ncccc5c4F)c23)C1.
What is the InChIKey of CID 165120534?
The InChIKey is GAIPVTJBKNIRJP-AREMUKBSSA-N. The full InChI is InChI=1S/C26H23FIN7OSi/c1-34-9-7-28-26(37,14-34)36-22-11-16(17-12-32-35(2)13-17)10-21-23(22)25(31-15-30-21)33-20-6-5-19-18(24(20)27)4-3-8-29-19/h3-6,8,10-13,15H,7,9,14H2,1-2H3,(H,30,31,33)/q-1/t26-/m1/s1.
What are the key properties of CID 165120534?
CID 165120534 has a molecular weight of 623.51 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165120534 is sourced from PubChem (CID 165120534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).