(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone

C23H24FN3O3 — CID 71760817

IUPAC(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H24FN3O3/c1-26-19-9-16(30-2)7-8-17(19)20-21(26)18(10-28)25-11-23(20)12-27(13-23)22(29)14-3-5-15(24)6-4-14/h3-9,18,25,28H,10-13H2,1-2H3/t18-/m1/s1
InChIKeyHAOXZYQONWJSNI-GOSISDBHSA-N
MW409.46 g/mol
LogP2.36
Rot. Bonds3

About (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone

(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone (PubChem CID 71760817) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone
PubChem CID71760817
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H24FN3O3/c1-26-19-9-16(30-2)7-8-17(19)20-21(26)18(10-28)25-11-23(20)12-27(13-23)22(29)14-3-5-15(24)6-4-14/h3-9,18,25,28H,10-13H2,1-2H3/t18-/m1/s1
InChIKeyHAOXZYQONWJSNI-GOSISDBHSA-N
XLogP2.36
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone (CID 71760817) is (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone is COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone?
The InChIKey is HAOXZYQONWJSNI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-26-19-9-16(30-2)7-8-17(19)20-21(26)18(10-28)25-11-23(20)12-27(13-23)22(29)14-3-5-15(24)6-4-14/h3-9,18,25,28H,10-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone?
(4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone has a molecular weight of 409.46 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone is sourced from PubChem (CID 71760817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).