CID 155750143

C23H25F3KN5O — CID 155750143

IUPAC—
SMILESCc1cc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3\[CH-][N+](C)(C)C3)c2)cnc1C(F)(F)F.[K+]
InChIInChI=1S/C23H25F3N5O.K/c1-15-10-18(12-29-21(15)23(24,25)26)22(32)30-19-7-5-6-17(11-19)16(2)27-8-9-28-20-13-31(3,4)14-20;/h5-7,9-13,16,27H,14H2,1-4H3,(H,30,32);/q-1;+1/b28-20+;
InChIKeyKYLWJXILPBILIO-UTGUOAKPSA-N
MW483.58 g/mol
LogP1.28
Rot. Bonds6

About CID 155750143

CID 155750143 (PubChem CID 155750143) has the molecular formula C23H25F3KN5O and a molecular weight of 483.58 g/mol.

Molecular Properties

Compound NameCID 155750143
PubChem CID155750143
Molecular FormulaC23H25F3KN5O
Molecular Weight483.58 g/mol
Exact Mass483.16
IUPAC Name—
SMILESCc1cc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3\[CH-][N+](C)(C)C3)c2)cnc1C(F)(F)F.[K+]
InChIInChI=1S/C23H25F3N5O.K/c1-15-10-18(12-29-21(15)23(24,25)26)22(32)30-19-7-5-6-17(11-19)16(2)27-8-9-28-20-13-31(3,4)14-20;/h5-7,9-13,16,27H,14H2,1-4H3,(H,30,32);/q-1;+1/b28-20+;
InChIKeyKYLWJXILPBILIO-UTGUOAKPSA-N
XLogP1.28
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155750143?
The IUPAC name of CID 155750143 (CID 155750143) is not available.
What is the SMILES notation for CID 155750143?
The canonical SMILES for CID 155750143 is Cc1cc(C(=O)Nc2cccc(C(C)N/[C-]=C/N=C3\[CH-][N+](C)(C)C3)c2)cnc1C(F)(F)F.[K+].
What is the InChIKey of CID 155750143?
The InChIKey is KYLWJXILPBILIO-UTGUOAKPSA-N. The full InChI is InChI=1S/C23H25F3N5O.K/c1-15-10-18(12-29-21(15)23(24,25)26)22(32)30-19-7-5-6-17(11-19)16(2)27-8-9-28-20-13-31(3,4)14-20;/h5-7,9-13,16,27H,14H2,1-4H3,(H,30,32);/q-1;+1/b28-20+;.
What are the key properties of CID 155750143?
CID 155750143 has a molecular weight of 483.58 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155750143 is sourced from PubChem (CID 155750143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).