[4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone

C23H28ClFN6O2 — CID 169164723

IUPAC[4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCCC/C=C(\C=C1\CCC=C(Cl)N1)C1c2nc[nH]c2CCN1C(=O)c1nnc(C(C)(C)F)o1
InChIInChI=1S/C23H28ClFN6O2/c1-4-5-7-14(12-15-8-6-9-17(24)28-15)19-18-16(26-13-27-18)10-11-31(19)21(32)20-29-30-22(33-20)23(2,3)25/h7,9,12-13,19,28H,4-6,8,10-11H2,1-3H3,(H,26,27)/b14-7+,15-12-
InChIKeyMVADXRXEDKHOHG-NKUZYOJVSA-N
MW474.97 g/mol
LogP4.81
Rot. Bonds6

About [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone

[4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 169164723) has the molecular formula C23H28ClFN6O2 and a molecular weight of 474.97 g/mol. Its IUPAC name is [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID169164723
Molecular FormulaC23H28ClFN6O2
Molecular Weight474.97 g/mol
Exact Mass474.19
IUPAC Name[4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCCC/C=C(\C=C1\CCC=C(Cl)N1)C1c2nc[nH]c2CCN1C(=O)c1nnc(C(C)(C)F)o1
InChIInChI=1S/C23H28ClFN6O2/c1-4-5-7-14(12-15-8-6-9-17(24)28-15)19-18-16(26-13-27-18)10-11-31(19)21(32)20-29-30-22(33-20)23(2,3)25/h7,9,12-13,19,28H,4-6,8,10-11H2,1-3H3,(H,26,27)/b14-7+,15-12-
InChIKeyMVADXRXEDKHOHG-NKUZYOJVSA-N
XLogP4.81
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone (CID 169164723) is [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone is CCC/C=C(\C=C1\CCC=C(Cl)N1)C1c2nc[nH]c2CCN1C(=O)c1nnc(C(C)(C)F)o1.
What is the InChIKey of [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is MVADXRXEDKHOHG-NKUZYOJVSA-N. The full InChI is InChI=1S/C23H28ClFN6O2/c1-4-5-7-14(12-15-8-6-9-17(24)28-15)19-18-16(26-13-27-18)10-11-31(19)21(32)20-29-30-22(33-20)23(2,3)25/h7,9,12-13,19,28H,4-6,8,10-11H2,1-3H3,(H,26,27)/b14-7+,15-12-.
What are the key properties of [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone?
[4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 474.97 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E,1Z)-1-(6-chloro-3,4-dihydro-1H-pyridin-2-ylidene)hex-2-en-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-fluoropropan-2-yl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 169164723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).