CID 169253148

C19H15FI2N4O4-2 — CID 169253148

IUPAC—
SMILESCOc1c(F)cccc1Nc1c2[nH]c3c1C(=O)N[C@H](C3)[I-]O[I-]Oc1cnccc1-2
InChIInChI=1S/C19H15FI2N4O4/c1-28-18-10(20)3-2-4-11(18)24-17-15-12-7-14(26-19(15)27)21-30-22-29-13-8-23-6-5-9(13)16(17)25-12/h2-6,8,14,24-25H,7H2,1H3,(H,26,27)/q-2/t14-/m1/s1
InChIKeyJKAPCSNYIYLEBC-CQSZACIVSA-N
MW636.16 g/mol
LogP-3.09
Rot. Bonds3

About CID 169253148

CID 169253148 (PubChem CID 169253148) has the molecular formula C19H15FI2N4O4-2 and a molecular weight of 636.16 g/mol.

Molecular Properties

Compound NameCID 169253148
PubChem CID169253148
Molecular FormulaC19H15FI2N4O4-2
Molecular Weight636.16 g/mol
Exact Mass635.92
IUPAC Name—
SMILESCOc1c(F)cccc1Nc1c2[nH]c3c1C(=O)N[C@H](C3)[I-]O[I-]Oc1cnccc1-2
InChIInChI=1S/C19H15FI2N4O4/c1-28-18-10(20)3-2-4-11(18)24-17-15-12-7-14(26-19(15)27)21-30-22-29-13-8-23-6-5-9(13)16(17)25-12/h2-6,8,14,24-25H,7H2,1H3,(H,26,27)/q-2/t14-/m1/s1
InChIKeyJKAPCSNYIYLEBC-CQSZACIVSA-N
XLogP-3.09
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.16
LogP ≤ 5-3.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze CID 169253148 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

CID 169252875
CID 169252875
CID 169252767
CID 169252767
CID 169252927
CID 169252927
CID 169252775
CID 169252775
CID 169253259
CID 169253259
CID 169252730
CID 169252730
(6S)-3-(3-fluoro-2-methoxyanilino)-2-[3-(4-hydroxybutoxy)-4-pyridinyl]-6-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 169253217
CID 169252494
CID 169252494
CID 169252584
CID 169252584
23-(3-fluoro-2-methoxyanilino)-8,13-dioxa-5,18,22-triazatetracyclo[18.2.1.02,7.016,21]tricosa-1(23),2(7),3,5,20-pentaen-19-one
CID 169253096
(11E,15S)-22-(3-fluoro-2-methoxyanilino)-11,12-dimethyl-8-oxa-5,17,21-triazatetracyclo[17.2.1.02,7.015,20]docosa-1(22),2(7),3,5,11,19-hexaen-18-one
CID 169252741
CID 169253162
CID 169253162

Frequently Asked Questions

What is the IUPAC name of CID 169253148?
The IUPAC name of CID 169253148 (CID 169253148) is not available.
What is the SMILES notation for CID 169253148?
The canonical SMILES for CID 169253148 is COc1c(F)cccc1Nc1c2[nH]c3c1C(=O)N[C@H](C3)[I-]O[I-]Oc1cnccc1-2.
What is the InChIKey of CID 169253148?
The InChIKey is JKAPCSNYIYLEBC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15FI2N4O4/c1-28-18-10(20)3-2-4-11(18)24-17-15-12-7-14(26-19(15)27)21-30-22-29-13-8-23-6-5-9(13)16(17)25-12/h2-6,8,14,24-25H,7H2,1H3,(H,26,27)/q-2/t14-/m1/s1.
What are the key properties of CID 169253148?
CID 169253148 has a molecular weight of 636.16 g/mol, XLogP of -3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169253148 is sourced from PubChem (CID 169253148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).