(2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C18H25N7O3 — CID 97285228

IUPAC(2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cncn1)CC2
InChIInChI=1S/C18H25N7O3/c1-13(25-12-19-10-22-25)17(27)23-7-4-18(5-8-23)16-14(20-11-21-16)3-6-24(18)15(26)9-28-2/h10-13H,3-9H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyQGNLDQRZGSWIGX-ZDUSSCGKSA-N
MW387.44 g/mol
LogP0.11
Rot. Bonds4

About (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

(2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 97285228) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID97285228
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name(2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cncn1)CC2
InChIInChI=1S/C18H25N7O3/c1-13(25-12-19-10-22-25)17(27)23-7-4-18(5-8-23)16-14(20-11-21-16)3-6-24(18)15(26)9-28-2/h10-13H,3-9H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyQGNLDQRZGSWIGX-ZDUSSCGKSA-N
XLogP0.11
TPSA109.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 97285228) is (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cncn1)CC2.
What is the InChIKey of (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is QGNLDQRZGSWIGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-13(25-12-19-10-22-25)17(27)23-7-4-18(5-8-23)16-14(20-11-21-16)3-6-24(18)15(26)9-28-2/h10-13H,3-9H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
(2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 387.44 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 97285228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).